// $Id: Edit1.cxx 848 2009-05-29 18:57:34Z larry $
//
// Edit1.cxx - routine for DRAWxtl V5.4 - the GUI version 
//
// Coded using the FLTK 1.1.6 widget set
//
//     Larry W. Finger, Martin Kroeker and Brian Toby
//
// This module includes the majority of the edit screens for the GUI
//
// routines contained within this file:
//
//  Add_Frame_Main - add frame widget to main screen
//  Bond_Combo_cb - updates bond distance table when atom in combo box is changed
//  Bond_Frame_Combo_cb - callback routine entered when frame combo box changed
//  Check_Box_cb - processes main page check boxes (not clipflag)
//  Configure_cb - callback routine to load configuration screen
//  Configure_Close_cb - callback routine to cancel configuration file
//  Configure_Save_cb - callback routine to save configuration file
//  Configure_MSMS_cb - callback routine to create MSMS path entry window
//  Configure_MSMS_loc_cb - browser window for MSMS path
//  Configure_Close_MSMS_cb - callback to close MSMS configuration window without saving
//  Configure_Save_MSMS_cb - callback to close the MSMS configuration window
//  ConfigurePOV_cb - callback to select path of POV executable
//  ConfigurePOVOptions_cb - callback to select options for POV
//  Edit_Arrow_cb - callback routine to create Arrow Edit screen
//  Edit_Arrow_Close_cb - callback routine to dismiss Arrow Edit screen
//  Edit_Arrow_Save_cb - callback to save (or apply) Arrow Edit changes
//  Edit_Bond_cb - callback routine to load the bond editing screen
//  Edit_Bond_Close_cb - callback routine entered when the 'Cancel' Button is pressed
//  Edit_Bond_Save_cb - callback routine entered when the 'Save' Button is pressed
//  Edit_Ellipsoid_cb - callback routine to load ellipsoid edit screen
//  Edit_Ellipsoid_Close_cb - callback routine from cancel button on ellipsoids screen
//  Edit_Ellipsoid_Save_cb - callback routine from save button on ellipsoid screen
//  Edit_LonePair_cb - callback routine to load lone-pair edit screen
//  Edit_Lone_Pair_Close_cb - callback routine called when the 'Cancel' Button is pressed
//  Edit_Lone_Pair_Save_cb - callback routine called when the 'Save' Button is pressed
//  Edit_Parmeters_Close_cb - callback from cancel button on Edit Parameter Screen
//  Browse_Map_File_cb - callback to select a fourier map file
//  Edit_Maps_cb - callback routine to load map parameter edit screen
//  Edit_Maps_Close_cb - callback from 'Cancel' button
//  Edit_Maps_Save_cb - callback from 'Save' or 'Apply' button
//  Edit_Parmeters_cb - callback routine for edit parameters screen
//  Edit_Parmeters_Save_cb - callback from save or apply button on Edit Parameter Screen
//  Edit_Polyhedra_cb - callback routine to load polyhedral edit screen
//  Load_Color_Combo - load color combo list widget
//  Edit_Modparms_Close_cb - callback from 'Cancel' button on modulation screen
//  Edit_Modparms_Change_cb - callback for immediate feedback from the modulation t spinners
//  Edit_Modparms_Save_cb - callback from 'Save' or 'Apply' button on modulation screen
//  Edit_Modparms_cb - callback routine to load modulation parameters screen
//  Modify_Occ_cb - callback entered when a line in the occupancy threshold list is selected
//  Occ_Combo_cb - callback associated with the atom list combo on the modulation screen
//  New_Occ_Input_cb - callback triggered by changes to the occupancy entry fields
//  New_Occ_Add_cb - callback entered when Add button for occupancy thresholds is pressed 

#include "drawxtl.h"
#include "DRAWxtlViewUI.h"
#include "EditView.h"
#include "Ellipsoids.h"
#include "draw_ext.h"
#ifdef WIN32
  #include <direct.h>
#else
  #include <unistd.h>
  #define _chdir chdir
#endif
#include <ctype.h>

#include "DRAWxtl_proto.h"

static int zero = 0;
char Edit_title[128];
char Colors_Combo[] = 
{"\nRed\nGreen\nBlue\nYellow\nCyan\n"
"Magenta\nClear\nWhite\nBlack\nGray05\n"
"Gray10\nGray15\nGray20\nGray25\nGray30\n"
"Gray35\nGray40\nGray45\nGray50\nGray55\n"
"Gray60\nGray65\nGray70\nGray75\nGray80\n"
"Gray85\nGray90\nGray95\nDimGray\nDimGrey\n"
"Gray\nGrey\nLightGray\nLightGrey\nVLightGray\n"
"VLightGrey\nAquamarine\nBlueViolet\nBrown\nCadetBlue\n"
"Coral\nCornflowerBlue\nDarkGreen\nDarkOliveGreen\nDarkOrchid\n"
"DarkSlateBlue\nDarkSlateGray\nDarkSlateGrey\nDarkTurquoise\nFirebrick\n"
"ForestGreen\nGold\nGoldenrod\nGreenYellow\nIndianRed\n"
"Khaki\nLightBlue\nLightSteelBlue\nLimeGreen\nMaroon\n"
"MediumAquamarine\nMediumBlue\nMediumForestGreen\nMediumGoldenrod\nMediumOrchid\n"
"MediumSeaGreen\nMediumSlateBlue\nMediumSpringGreen\nMediumTurquoise\nMediumVioletRed\n"
"MidnightBlue\nNavy\nNavyBlue\nOrange\nOrangeRed\n"
"Orchid\nPaleGreen\nPink\nPlum\nSalmon\n"
"SeaGreen\nSienna\nSkyBlue\nSlateBlue\nSpringGreen\n"
"SteelBlue\nTan\nThistle\nTurquoise\nViolet\n"
"VioletRed\nWheat\nYellowGreen\nSummerSky\nRichBlue\n"
"Brass\nCopper\nBronze\nBronze2\nSilver\n"
"BrightGold\nOldGold\nFeldspar\nQuartz\nMica\n"
"NeonPink\nDarkPurple\nNeonBlue\nCoolCopper\nMandarinOrange\n"
"LightWood\nMediumWood\nDarkWood\nSpicyPink\nSemiSweetChoc\n"
"BakersChoc\nFlesh\nNewTan\nNewMidnightBlue\nVeryDarkBrown\n"
"DarkBrown\nDarkTan\nGreenCopper\nDkGreenCopper\nDustyRose\n"
"HuntersGreen\nScarlet\nMed_Purple\nLight_Purple\nVery_Light_Purple\n"
};

#ifdef WIN32
const char* flu_file_chooser( const char *message, const char *pattern, const char *filename );
#endif

void Add_Frame_Main(void)
{
// make frame number combo box on main screen hidden/shown as desired
    int i;
    char string[20];

    if (drvui->max_frame > 1) {
        drvui->Frame_No->show();
        for (i=1; i<=drvui->max_frame; i++) {
            sprintf(string,"%d",i);
            drvui->Frame_No->list.add(string);
        }
        drvui->Frame_No->pop_height(20 * drvui->max_frame);
        drvui->Frame_No->value("1");
    } else {
        drvui->Frame_No->hide();
    }
}
    
void Arrow_Frame_Combo_cb(Fl_Widget * ,void * )
{
// update arrow information table when the frame numver in the combo box is changed
    int i;
    int Frame_No = 1;

    if(!drvui->table)
        drvui->table = (char *)zalloc(20480*sizeof(char));
    if (drvui->max_frame > 1) Frame_No = atoi(arrows->Frame_No->value());
    strcpy(drvui->table,"");
    for (i =0; i<drvui->nmag; i++) {           // fill in the widgets
      if (drvui->arrows[i].arrow_fn == Frame_No) {
        char string [128];
        sprintf(string,"%6.3f %6.3f %6.3f %10.3f %6.3f %6.3f %10.3f %6.3f   %s\n",
            drvui->arrows[i].mag_xp[0],drvui->arrows[i].mag_xp[1],drvui->arrows[i].mag_xp[2],
            drvui->arrows[i].mag_xc[0],drvui->arrows[i].mag_xc[1],drvui->arrows[i].mag_xc[2],
            drvui->arrows[i].arrow_length,drvui->arrows[i].arrow_diam,drvui->arrows[i].col_arrow);
        strcat(drvui->table,string);
      }
    }
    arrows->ArrowBuffer->text(drvui->table);
}

void Bond_Combo_cb(Fl_Widget * ,void * )
{
// update bond distance table when the atom in the combo box is changed
    const char * atom;

    if (!drvui->table)
	drvui->table = (char *)zalloc(20480 * sizeof(char));
    atom = Bonds->Bond_Combo->value();        // get name from combo box
    Bonds->New_Bond_From->value(atom);        // put it in the 'From' location
    Load_Bond_Data(atom,drvui->table);
    Bonds->Bond_Output_Buffer->text(drvui->table);
}

void Bond_Frame_Combo_cb(Fl_Widget * ,void * )
{
// routine called when the frame number is changed on the Bonds Edit Screen
    int i,j;
    char type[5];
    char atom1[5];
    char atom2[5];
    char widget[16382];
    char atoms[100][5];
    char color[40];
    float rad, d1, d2;
    char string[100];
    int Frame_No = 1;

    if (drvui->max_frame > 1) Frame_No = atoi(Bonds->Frame_No->value());
    int nlist = Get_Unique_Atoms(atoms, Frame_No);// get unique atom names in sorted list
    Bonds->Bond_Combo->list.clear();              // clear out the old names
    for (j=0;j<nlist;j++) {                       // add atom names in alphabetic order
        Bonds->Bond_Combo->list.add(atoms[j]);
    }
    Bonds->Bond_Combo->value(atoms[0]); // load first one in window
    Bond_Combo_cb(NULL,NULL);
    widget[0] = '\0';
    for (i=1;i<drvui->nbond;i++) {
        if (drvui->bonds[i].bond_fn != Frame_No)continue; //skip if not for this frame
        strncpy(atom1,drvui->bonds[i].bond_l1,4);
        strncpy(atom2,drvui->bonds[i].bond_l2,4);
        atom1[4] = 0;
        atom2[4] = 0;
        for(j=3;j>=0;--j) {
            if (atom1[j] == ' ')
                atom1[j] = 0;
        }
        for(j=3;j>=0;--j) {
            if (atom2[j] == ' ')
                atom2[j] = 0;
        }
        rad = drvui->bonds[i].bond_size;
        d1 = drvui->bonds[i].bond_min;
        d2 = drvui->bonds[i].bond_max;
        strncpy(color,drvui->bonds[i].col_bond,25);
        if (color[strlen(color)-1] < ' ') color[strlen(color)-1] = 0;
        if (strlen(color) > 25) color[25] = 0;
        if (drvui->bonds[i].bond_style == 0) 
          strcpy(type,"bond");
        else
          strcpy(type,"dash");
        sprintf(string,"%4s  %4s   %4s  %9.3f %9.3f %9.3f     %s\n",type,atom1,atom2,
            rad,d1,d2,color);
        strcat(widget,string);
        Bonds->BondInstr1->show();
    }
    Bonds->BondBuffer->text(widget);
}

void Browse_Map_File_cb(void)
{
// callback routine to select a map file
#if defined(WIN32)
    char drive[_MAX_DRIVE];
    char dir[_MAX_DIR];
    char fname[_MAX_FNAME];
    char ext[_MAX_EXT];
    const char * newfile = flu_file_chooser("Select Map File", "*.*", Maps->Filename->value());
    if(newfile){
        _splitpath( newfile, drive, dir, fname, ext );  //Windows code
        strcpy(drvui->Cur_Dir,drive);                // Drive letter
        strcat(drvui->Cur_Dir,dir);                  //   and directory
        strcpy(drvui->Cur_File,fname);               // copy file name
        strcat(drvui->Cur_File,ext);                 // and add extension
    }
#else
    char * newfile = fl_file_chooser("Select Map File", "*.*", Maps->Filename->value(),1);
#endif
    if(newfile){
        Maps->Filename->value(newfile);
        ReadFourMap = 0;
        Map_Info.info_valid = 0;
    }
}

void Check_Box_cb(void)
{
// callback routine entered when a main-screen checkbox is changed
    if (drvui->Generate_VRML1->value() != 0) {
        if (Vrml2) drvui->Str_File_Changed = 1;
        Vrml2 = 0;
    } else {
        if (!Vrml2) drvui->Str_File_Changed = 1;
        Vrml2 = 1;
    }
    if (drvui->Orthographic_View->value() != 0) {
        if (M_cameras) drvui->Str_File_Changed = 1;
        M_cameras = 0;
        gl_size = max(POV_Max[1]-POV_Min[1],POV_Max[0]-POV_Min[0]);
    } else {
        if (!M_cameras) drvui->Str_File_Changed = 1;
        M_cameras = 1;
    }
    if (drvui->Show_Vector_Triple->value() != 0) {
        if (!Display_axes) drvui->Str_File_Changed = 1;
        Display_axes = 1;
        label_cell();
    } else {
        if (Display_axes) drvui->Str_File_Changed = 1;
        Display_axes = 0;
        label_cell();
    }
    Update_Str(0);                       // update the 'str' file
    Generate_Drawing(0);                 // regenerate the drawing
    Fl::redraw();                        // update the screen
}

void Configure_cb(void)
{
// callback routine to display configuration screen
    int y;
    char string[30];

    if (Configure) {
      Configure->ConfigWindow->show();
      return;
    }
    Configure = new ConfigParm;           // get new instance of config parms
    Configure->ConfigWindow = new Fl_Window(50, 50, 640, 450, "POV Configuration Window");
    Configure->ConfigWindow->callback((Fl_Callback*)Configure_Close_cb);
    y = 30;
    Configure->POVOptions = new Fl_Input(170, y, 300, 40, "POV Options");
    Configure->POVOptions->textcolor(1);
    Configure->POVOptions->value(drvui->POV_Options);
    Configure->POVOptions->tooltip("+Wnum and +Hnum for size, +D for preview, +P for pause at end, +A for antialiased lines, +F for filetype (FC=TGA,FN=PNG), +L for POV library path");
    y += 60;
    Configure->POVPath = new Fl_Input(170, y, 300, 40, "POV program");
    Configure->POVPath->textcolor(1);
    Configure->POVPath->value(drvui->POV_Path);
    Configure->POVPath->tooltip("Enter the name and full path of the pov-ray executable here");
    Fl_Button* a = new Fl_Button(475, y+5, 70, 25, "Browse");
    a->callback((Fl_Callback*)ConfigurePOV_cb);
    y += 60;
    Configure->POVIncludePath = new Fl_Input(170, y, 300, 40, "POV Color File");
    Configure->POVIncludePath->textcolor(1);
    Configure->POVIncludePath->value(drvui->POV_Include);
    Fl_Button* b = new Fl_Button(475,y+5, 70, 25, "Browse");
    b->callback((Fl_Callback*)ConfigurePOVOptions_cb);
    y += 60;
    Configure->POVDefaultFinish = new Fl_Input(170, y, 300, 40, "POV Object Finish");
    Configure->POVDefaultFinish->textcolor(1);
    Configure->POVDefaultFinish->value(drvui->DefaultFinish);
    y += 60;
    Configure->Stereo_Base = new Fl_Input(170, y, 300, 40,"Stereo Base Separation");
    sprintf(string,"%.3f",drvui->stereo_base);
    Configure->Stereo_Base->value(string);
    Configure->Stereo_Base->textcolor(1);
    y += 60;
    Configure->Stereo = new Fl_Check_Button(150, y, 325, 25, "Generate stereo POV pair - StereoPOV needed");
    if (drvui->Stereo)
      Configure->Stereo->set();
    y += 30;
    Configure->CrossEyed = new Fl_Check_Button(150, y, 175, 25, "Use \"cross-eyed\" view");
    if (drvui->cross_eyed)
      Configure->CrossEyed->set();
    y += 40;
    Fl_Button* o = new Fl_Button(330, y, 90, 30, "Save");
    o->callback((Fl_Callback*)Configure_Save_cb);
    o->tooltip("Apply current contents of top box to drawing, then close this window.");
    Fl_Button* p = new Fl_Button(220, y, 90, 30, "Cancel");
    p->tooltip("Close this window and discard all changes.");
    p->callback((Fl_Callback*)Configure_Close_cb);
#if !defined (WIN32) && !defined (__APPLE__)
    Configure->ConfigWindow->icon((char *)drvui->icon);
#endif
    Configure->ConfigWindow->end();
    Configure->ConfigWindow->show();
}

void Configure_Close_cb(void)
{
    Configure->ConfigWindow->hide();
}

void Configure_Save_cb(void)
{
// callback routine to save configuration file

    char string[100];

    strcpy(drvui->POV_Options,Configure->POVOptions->value());
    strcpy(drvui->POV_Path,Configure->POVPath->value());
    strcpy(drvui->POV_Include,Configure->POVIncludePath->value());
    strcpy(drvui->DefaultFinish,Configure->POVDefaultFinish->value());
    if (Configure->Stereo->value())
        drvui->Stereo = 1;
    else
        drvui->Stereo = 0;
    if (Configure->CrossEyed->value())
        drvui->cross_eyed = 1;
    else
        drvui->cross_eyed = 0;
    strcpy(string,Configure->Stereo_Base->value());
    sscanf(string,"%f",&drvui->stereo_base);
    WriteConfig();
    Configure->ConfigWindow->hide();
}

void Configure_Misc_cb(void)
{
// callback routine to display configuration screen for miscellaneous parameters
    int y;

    if (MiscConfigure) {
      MiscConfigure->MiscConfigWindow->show();
      return;
    }
    MiscConfigure = new ConfigMiscParm;           // get new instance of misc. config parms
    MiscConfigure->MiscConfigWindow = new Fl_Window(50, 50, 400, 250, "Misc. Configuration Window");
    MiscConfigure->MiscConfigWindow->callback((Fl_Callback*)Configure_Misc_Close_cb);
    y = 30;
    MiscConfigure->LoadLast = new Fl_Check_Button(40, y, 275, 25, "Load most recently used file on startup");
    if (strncmp(drvui->LoadOnStartup,"yes",3)==0) 
      MiscConfigure->LoadLast->set();
    y += 30;
    MiscConfigure->AutoLabel = new Fl_Check_Button(40, y, 275, 25, "Label atoms when importing from SHELX");
    if (drvui->autolabel)
      MiscConfigure->AutoLabel->set();
    y += 30;
    MiscConfigure->doVrml = new Fl_Check_Button(40, y, 275, 25, "Generate VRML file while rendering");
    if (doVrml)
      MiscConfigure->doVrml->set();
    y += 30;
    MiscConfigure->doPOV = new Fl_Check_Button(40, y, 275, 25, "Generate POV input file while rendering");
    if (doPOV)
      MiscConfigure->doPOV->set();
    y += 60;
    Fl_Button* n = new Fl_Button(100, y, 90, 30, "Cancel");
    n->tooltip("Close this window and discard all changes.");
    n->callback((Fl_Callback*)Configure_Misc_Close_cb);
    Fl_Button* o = new Fl_Button(210, y, 90, 30, "Save");
    o->callback((Fl_Callback*)Configure_Misc_Save_cb);
    o->tooltip("Apply current contents of top box to drawing, then close this window.");
#if !defined (WIN32) && !defined (__APPLE__)
    MiscConfigure->MiscConfigWindow->icon((char *)drvui->icon);
#endif
    MiscConfigure->MiscConfigWindow->end();
    MiscConfigure->MiscConfigWindow->show();
}

void Configure_Misc_Close_cb(void)
{
    MiscConfigure->MiscConfigWindow->hide();
}

void Configure_Misc_Save_cb(void)
{
    if (MiscConfigure->LoadLast->value())
        strcpy(drvui->LoadOnStartup,"yes");
    else
        strcpy(drvui->LoadOnStartup,"no");
    if (MiscConfigure->AutoLabel->value())
        drvui->autolabel=1;
    else
        drvui->autolabel=0;
    if (MiscConfigure->doVrml->value()) {
        doVrml=1;
        drvui->Generate_VRML1->activate();
    } else {
        doVrml=0;
        drvui->Generate_VRML1->deactivate();
    }
    if (MiscConfigure->doPOV->value()) {
        doPOV=1;
        DRAWxtlViewUI::drawxtl_menu[36].activate();
    } else {
        doPOV=0;
        DRAWxtlViewUI::drawxtl_menu[36].deactivate();
    }
    WriteConfig();
    MiscConfigure->MiscConfigWindow->hide();
    Generate_Drawing(0);
}

void Configure_MSMS_cb(void)
{
    if (MSMSConfigure) {
        MSMSConfigure->MSMSConfigWindow->show();
        return;
    }
    MSMSConfigure = new ConfigMSMSParm;           // get new instance
    MSMSConfigure->MSMSConfigWindow = new Fl_Window(50, 50, 640, 140, "MSMS Configuration Window");
    MSMSConfigure->MSMSConfigWindow->callback((Fl_Callback*)Configure_Close_MSMS_cb);
    MSMSConfigure->MSMSPath = new Fl_Input(170, 30, 300, 40, "MSMS program");
    MSMSConfigure->MSMSPath->textcolor(1);
    MSMSConfigure->MSMSPath->value(drvui->MSMS_Path);
    MSMSConfigure->MSMSPath->tooltip("Enter the name and full path of the msms executable here");
    Fl_Button* a = new Fl_Button(475, 35, 70, 25, "Browse");
    a->callback((Fl_Callback*)Configure_MSMS_loc_cb);
    Fl_Button* o = new Fl_Button(330, 80, 90, 30, "Save");
    o->callback((Fl_Callback*)Configure_Save_MSMS_cb);
    o->tooltip("Apply current contents of top box to drawing, then close this window.");
    Fl_Button* p = new Fl_Button(220, 80, 90, 30, "Cancel");
    p->tooltip("Close this window and discard all changes.");
    p->callback((Fl_Callback*)Configure_Close_MSMS_cb);
#if !defined (WIN32) && !defined (__APPLE__)
    MSMSConfigure->MSMSConfigWindow->icon((char *)drvui->icon);
#endif
    MSMSConfigure->MSMSConfigWindow->end();
    MSMSConfigure->MSMSConfigWindow->show();
}

void Configure_MSMS_loc_cb(void)
{
// routine to configure MSMS exec path
#ifdef WIN32
    const char * newfile = flu_file_chooser("Select MSMS exe file", "*.exe", drvui->MSMS_Path);
#else
    char * newfile = fl_file_chooser("Select MSMS program", "*", drvui->MSMS_Path);
#endif
    if(newfile) {
        strcpy(drvui->MSMS_Path,newfile);
        MSMSConfigure->MSMSPath->value(drvui->MSMS_Path);
    }
}

void ConfigurePOV_cb(void)
{
// routine to configure POV exec path
#ifdef WIN32
    const char * newfile = flu_file_chooser("Select POVRAY exe file", "*.exe", drvui->POV_Path);
#else
    char * newfile = fl_file_chooser("Select POVRAY program", "*", drvui->POV_Path);
#endif
    if(newfile) {
        strcpy(drvui->POV_Path,newfile);
        Configure->POVPath->value(drvui->POV_Path);
    }
}

void ConfigurePOVOptions_cb(void)
{
// routine to configure POV include path
#ifdef WIN32
    const char * newfile = flu_file_chooser("Select Path for POV colors.inc", "*.inc", drvui->POV_Include);
#else
    char * newfile = fl_file_chooser("Select Path for POV 'colors.inc'", "*.inc", drvui->POV_Include);
#endif
    if(newfile) {
        strcpy(drvui->POV_Include,newfile);
        Configure->POVIncludePath->value(drvui->POV_Include);
    }
}

void Configure_Close_MSMS_cb(void)
{
    MSMSConfigure->MSMSConfigWindow->hide();
}

void Configure_Save_MSMS_cb(void)
{
// callback routine to save configuration file
    strcpy(drvui->MSMS_Path,MSMSConfigure->MSMSPath->value());
    WriteConfig();
    MSMSConfigure->MSMSConfigWindow->hide();
}

void Edit_Arrow_cb(void)
{
    char widget[16382];
    int y = 25;
    static int one = 1;

    if (!strlen(drvui->CurFile->value())) {         // Make sure rendering enabled
        Error_Box("A Structure File must be selected first.");
        return;
    }
    Save_Working_Copy();
    if (!arrows) {
        arrows = new ArrowParam;

        { Fl_Window* o = arrows->ArrowWindow = new Fl_Window(0, 0, 490, 600, "Edit Arrow Parameters");
          o->callback((Fl_Callback*)Edit_Arrow_Close_cb);
#if !defined (WIN32) && !defined (__APPLE__)
          o->icon((char *)drvui->icon);
#endif
          { Fl_Text_Display* o = new Fl_Text_Display(250, y, 0, 0,
                "  Position                   Components            Length   Diam.  Color");
            o->labelfont(1);
          }
          { Fl_Text_Editor * o = new Fl_Text_Editor(20, y, 450, 120);
            o->labelfont(1);
            arrows->ArrowBuffer = new Fl_Text_Buffer;
            strcpy(widget,"");
            o->buffer(arrows->ArrowBuffer);
          }
          arrows->ArrowBuffer->add_modify_callback((Fl_Text_Modify_Cb)Modify_Arrow_cb,(void*)NULL);
          arrows->ArrowInstr = new Fl_Output(20, y+130,450,0,"Press 'Add' to replace "
            "selected line - 'Remove' to delete it");
          arrows->ArrowInstr->hide();
          arrows->ArrowInstr->align(FL_ALIGN_BOTTOM);
          arrows->ArrowInstr1 = new Fl_Output(20, y+130,450,0,"Highlight text above "
            "or double click to edit line");
          arrows->ArrowInstr1->hide();
          arrows->ArrowInstr1->align(FL_ALIGN_BOTTOM);
          y += 170;
          { Fl_Text_Display* o = new Fl_Text_Display(244, y, 0, 0, "Position");
            o->labelfont(1);
          }
          y += 10;
          { Fl_Input* o = arrows->Px = new Fl_Input(110, y, 70, 25, "x");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
            o->callback((Fl_Callback*)New_Arrow_Input_cb);
          }
          { Fl_Input* o = arrows->Py = new Fl_Input(210, y, 70, 25, "y");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
            o->callback((Fl_Callback*)New_Arrow_Input_cb);
          } 
          { Fl_Input* o = arrows->Pz = new Fl_Input(310, y, 70, 25, "z");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
            o->callback((Fl_Callback*)New_Arrow_Input_cb);
          }
          if (drvui->max_frame > 1) {
            int i;
            char string[128];
            Flu_Combo_List * o = arrows->Frame_No = new Flu_Combo_List(400, y, 75, 25,"Frame No.");
            o->align(FL_ALIGN_TOP);
            o->callback(Arrow_Frame_Combo_cb);
            o->labelfont(1);
            for (i=1; i<=drvui->max_frame; i++) {
                sprintf(string,"%d",i);
                o->list.add(string);
            }
            o->pop_height(20 * drvui->max_frame);
            o->value("1");
          }
          y += 50;
          { Fl_Text_Display* o = new Fl_Text_Display(250, y, 0, 0, "Components");
            o->labelfont(1);
          }
          y += 10;
          { Fl_Input* o = arrows->Cx = new Fl_Input(110, y, 70, 25, "x");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
            o->callback((Fl_Callback*)New_Arrow_Input_cb);
          }
          { Fl_Input* o = arrows->Cy = new Fl_Input(210, y, 70, 25, "y");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
            o->callback((Fl_Callback*)New_Arrow_Input_cb);
          }
          { Fl_Input* o = arrows->Cz = new Fl_Input(310, y, 70, 25, "z");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
            o->callback((Fl_Callback*)New_Arrow_Input_cb);
          }
          y += 45;
          { Fl_Text_Display* o = new Fl_Text_Display(75, y, 344, 0, "Arrow Size and Color");
            o->labelfont(1);
          }
          y += 15;
          { Fl_Input* o = arrows->Length = new Fl_Input(90, y, 70, 25, "Length");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
            o->callback((Fl_Callback*)New_Arrow_Input_cb);
          }
          { Fl_Input* o = arrows->Diameter = new Fl_Input(170, y, 70, 25, "Diameter");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
            o->callback((Fl_Callback*)New_Arrow_Input_cb);
          }
          { Flu_Combo_List* o = arrows->Color = new Flu_Combo_List(250, y, 150, 25, "Color");
            o->labelfont(1);
            Load_Color_Combo(o);
            o->align(FL_ALIGN_TOP);
            o->callback((Fl_Callback*)New_Arrow_Input_cb);
          }
          y += 30;
          { Fl_Button* o = arrows->AddButton = new Fl_Button(165, y, 70, 25, "Add");
            o->down_box(FL_DOWN_BOX);
            o->labelfont(1);
            o->tooltip("When active, press to transfer data in boxes to window above");
            o->deactivate();
            o->callback((Fl_Callback*)New_Arrow_Add_cb,&one);
          }
          { Fl_Button* o = arrows->RemoveButton = new Fl_Button(250, y, 70, 25, "Remove");
            o->down_box(FL_DOWN_BOX);
            o->labelfont(1);
            o->tooltip("When active, press to remove highlighted line.");
            o->deactivate();
            o->callback((Fl_Callback*)New_Arrow_Add_cb,&zero);
          }
          y += 30;
          arrows->ArrowInstr2 = new Fl_Output( 25, y, 440,0,
            "Changes are temporary until \"Apply\" or \"Save\" is pressed.");
          arrows->ArrowInstr2->hide();
          arrows->ArrowInstr2->align(FL_ALIGN_BOTTOM);
          y += 40;
          { Fl_Text_Display* o = new Fl_Text_Display(248, y, 0, 0, 
                     "Matrix Between Magnetic and Nuclear Cells");
            o->labelfont(1);
          } 
          y += 15;
          { Fl_Text_Display* o = new Fl_Text_Display(250, y, 0, 0, "Nuclear ");
            o->labelfont(1);
          }
          y += 15;
          { Fl_Text_Display* o = new Fl_Text_Display(95, y+20, 0, 0, "Ma");
            o->labelfont(1);
          }
          { Fl_Input* o = arrows->Aa = new Fl_Input(110, y, 70, 25, "Na");
            o->tooltip("a(nuclear) component of a(magnetic)");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
          }
          { Fl_Input* o = arrows->Ab = new Fl_Input(210, y, 70, 25, "Nb");
            o->tooltip("b(nuclear) component of a(magnetic)");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
          }
          { Fl_Input* o = arrows->Ac = new Fl_Input(310, y, 70, 25, "Nc");
            o->tooltip("c(nuclear) component of a(magnetic)");
            o->labelfont(1);
            o->align(FL_ALIGN_TOP);
          }
          {
            Fl_Text_Display* o = new Fl_Text_Display(75, y+10, 0, 0, "M");
            o->labelfont(1);
          }
          {
            Fl_Text_Display* o = new Fl_Text_Display(75, y+22, 0, 0, "a");
            o->labelfont(1);
          }
          {
            Fl_Text_Display* o = new Fl_Text_Display(75, y+34, 0, 0, "g");
            o->labelfont(1);
          }
          {
            Fl_Text_Display* o = new Fl_Text_Display(75, y+46, 0, 0, "n");
            o->labelfont(1);
          }
          {
            Fl_Text_Display* o = new Fl_Text_Display(75, y+58, 0, 0, "e");
            o->labelfont(1);
          }
          { Fl_Text_Display* o = new Fl_Text_Display(75, y+70, 0, 0, "t");
            o->labelfont(1);
          } 
          { Fl_Text_Display* o = new Fl_Text_Display(75, y+82, 0, 0, "i");
            o->labelfont(1);
          } 
          { Fl_Text_Display* o = new Fl_Text_Display(75, y+94, 0, 0, "c");
            o->labelfont(1);
          } 
          y += 30;
          { Fl_Input* o = arrows->Ba = new Fl_Input(110, y, 70, 25, "Mb");
            o->tooltip("a(nuclear) component of b(magnetic)");
            o->labelfont(1);
          }
          { Fl_Input* o = arrows->Bb = new Fl_Input(210, y, 70, 25);
            o->tooltip("b(nuclear) component of b(magnetic)");
          }
          { Fl_Input* o = arrows->Bc = new Fl_Input(310, y, 70, 25);
            o->tooltip("c(nuclear) component of b(magnetic)");
          }
          y += 35;
          { Fl_Input* o = arrows->Ca = new Fl_Input(110, y, 70, 25, "Mc");
            o->tooltip("a(nuclear) component of c(magnetic)");
            o->labelfont(1);
          }
          { Fl_Input* o = arrows->Cb = new Fl_Input(210, y, 70, 25);
            o->tooltip("b(nuclear) component of c(magnetic)");
          }
          { Fl_Input* o = arrows->Cc = new Fl_Input(310, y, 70, 25);
            o->tooltip("c(nuclear) component of c(magnetic)");
          }
          y += 35;
          { Fl_Button* o = new Fl_Button(110, y, 70, 25, "Close");
            o->down_box(FL_DOWN_BOX);
            o->labelfont(1);
            o->tooltip("Close this window and discard all changes.");
            o->callback((Fl_Callback*)Edit_Arrow_Close_cb);
          }
          { Fl_Button* o = new Fl_Button(210, y, 70, 25, "Apply");
            o->down_box(FL_DOWN_BOX);
            o->tooltip("Apply current contents of top box to drawing, but leave this window open.");
            o->labelfont(1);
            o->callback((Fl_Callback*)Edit_Arrow_Save_cb,&zero);
          }
          { Fl_Button* o = new Fl_Button(310, y, 70, 25, "Save");
            o->down_box(FL_DOWN_BOX);
            o->labelfont(1);
            o->tooltip("Apply current contents of top box to drawing, then close this window.");
            o->callback((Fl_Callback*)Edit_Arrow_Save_cb,&one);
          }
        }
        arrows->ArrowWindow->end();
    }
    Arrow_Frame_Combo_cb(NULL, NULL);
    arrows->ArrowInstr1->show();
    if (drvui->nmag) {                         // populate widgets
        char string[128];
        sprintf(string,"%6.3f",drvui->mag_matrix[0][0]);
        arrows->Aa->value(string);
        sprintf(string,"%6.3f",drvui->mag_matrix[0][1]);
        arrows->Ab->value(string);
        sprintf(string,"%6.3f",drvui->mag_matrix[0][2]);
        arrows->Ac->value(string);
        sprintf(string,"%6.3f",drvui->mag_matrix[1][0]);
        arrows->Ba->value(string);
        sprintf(string,"%6.3f",drvui->mag_matrix[1][1]);
        arrows->Bb->value(string);
        sprintf(string,"%6.3f",drvui->mag_matrix[1][2]);
        arrows->Bc->value(string);
        sprintf(string,"%6.3f",drvui->mag_matrix[2][0]);
        arrows->Ca->value(string);
        sprintf(string,"%6.3f",drvui->mag_matrix[2][1]);
        arrows->Cb->value(string);
        sprintf(string,"%6.3f",drvui->mag_matrix[2][2]);
        arrows->Cc->value(string);
    }
    arrows->ArrowWindow->show();
}

void Edit_Arrow_Close_cb(class Fl_Button *,void *)
{
    arrows->ArrowWindow->hide();
    Restore_Working_Copy();                       // undo any changes
    Generate_Drawing(1);                          // regenerate
}

void Edit_Arrow_Save_cb(Fl_Button *,int *save)
{
    int i = 0;
    char string[16382];
    float Px[3], Cx[3], length, diam;
    char color[40];
    int Frame_No = 1;
    char * selection;

    if (drvui->max_frame > 1) Frame_No = atoi(arrows->Frame_No->value());

    memset(color,0,40);
    drvui->Str_File_Changed = 1;
    selection = arrows->ArrowBuffer->text();
    strcpy(string, selection);
    free(selection);
    if (strlen(string) <10) {
//      drvui->nmag = 0;
      strcpy(string,"");
      arrows->ArrowBuffer->text(string);
    } else {
      while (strlen(string) > 10) {
        sscanf(string," %f %f %f  %f %f %f %f %f %39c",&Px[0], &Px[1],
            &Px[2], &Cx[0], &Cx[1], &Cx[2], &length, &diam, color);
        int j,k;
        for (j=0; j<3; j++) {
            drvui->arrows[i].mag_xp[j] = Px[j];
            drvui->arrows[i].mag_xc[j] = Cx[j];
        }
        drvui->arrows[i].arrow_length = length;
        drvui->arrows[i].arrow_diam = diam;
        drvui->arrows[i].arrow_fn = Frame_No;
        trim_string(color,40);
        if (!strlen(color)) strcpy(color,"Gray20");
        strcpy(drvui->arrows[i].col_arrow,color);
        i++;
        for (j=0;j < (int)strlen(string);j++) {
            if (string[j] == '\n') break;
        }
        for (j++,k=0;j<(int)strlen(string);j++)
            string[k++] = string[j];
        string[k] = 0;
      }
    }
    drvui->nmag = i;
    drvui->mag_matrix[0][0] = (float)atof(arrows->Aa->value());
    drvui->mag_matrix[0][1] = (float)atof(arrows->Ab->value());
    drvui->mag_matrix[0][2] = (float)atof(arrows->Ac->value());
    drvui->mag_matrix[1][0] = (float)atof(arrows->Ba->value());
    drvui->mag_matrix[1][1] = (float)atof(arrows->Bb->value());
    drvui->mag_matrix[1][2] = (float)atof(arrows->Bc->value());
    drvui->mag_matrix[2][0] = (float)atof(arrows->Ca->value());
    drvui->mag_matrix[2][1] = (float)atof(arrows->Cb->value());
    drvui->mag_matrix[2][2] = (float)atof(arrows->Cc->value());
    Update_Str(0);
    Generate_Drawing(0);
    if(*save != 3) {
        Save_Working_Copy();                  // commit changes except from Add_New_Arrow
        arrows->ArrowInstr2->hide();
    }
    if(*save == 1) {
      arrows->ArrowWindow->hide();
    }
    Fl::redraw();
}

void Edit_Bond_cb(void)
{
// routine to create the edit bonds screen
    char string[100];
    static int one = 1;
    int i;
    int newBonds = 0;
    int y = 25;
    
    if (!strlen(drvui->CurFile->value())) {         // Make sure rendering enabled
        Error_Box("A Structure File must be selected first.");
        return;
    }
/*
    if (!natom) {         // No atoms, no bonds...
        Error_Box("This structure file does not contain any atoms.");
        return;
    }
*/
    Save_Working_Copy();
    if (!Bonds) {
        Bonds = new BondParam;                // new instance of the bond parameters
        newBonds = 1;
        Bonds->Bond_Edit_Window = new Fl_Window(50, 50, 520, 490, "Edit Bond Parameters");
        Bonds->Bond_Edit_Window->callback((Fl_Callback*)Edit_Bond_Close_cb);
        if (drvui->max_frame > 1) {
            Flu_Combo_List * o = Bonds->Frame_No = new Flu_Combo_List(220, y, 75, 25,"Frame No.");
            o->align(FL_ALIGN_TOP);
            o->callback(Bond_Frame_Combo_cb);
            o->labelfont(1);
            for (i=1; i<=drvui->max_frame; i++) {
                sprintf(string,"%d",i);
                o->list.add(string);
            }
            o->pop_height(20 * drvui->max_frame);
            o->value("1");
        }
        y += 50;
        Bonds->Bond_Edit = new Fl_Text_Editor(25, y, 460, 95, 
            "Type   From  To    Diameter  Min d    Max d    Color    ");
        Bonds->BondBuffer = new Fl_Text_Buffer;
        Bonds->BondBuffer->add_modify_callback((Fl_Text_Modify_Cb)Modify_Bonds_cb,(void*)NULL);
        Bonds->Bond_Edit->textfont(FL_COURIER);
        Bonds->Bond_Edit->textsize(12);
        Bonds->Bond_Edit->buffer(Bonds->BondBuffer);
        Bonds->Bond_Edit->labelfont(FL_COURIER_BOLD);
        y += 95;
        Bonds->BondInstr = new Fl_Output( 110, y, 300, 0,"Press 'Add' to replace "
            "selected line - 'Remove' to delete it");
        Bonds->BondInstr->hide();
        Bonds->BondInstr->align(FL_ALIGN_BOTTOM);
        Bonds->BondInstr1 = new Fl_Output( 110, y, 300, 0,"Highlight text above "
            "or double click to edit line");
        Bonds->BondInstr1->hide();
        Bonds->BondInstr1->align(FL_ALIGN_BOTTOM);
        y += 50;
        Fl_Input * oo = Bonds->New_Bond_From = new Fl_Input(20, y,50,25,"From");
        oo->align(FL_ALIGN_TOP);
        oo->labelfont(1);
        Fl_Input * op = Bonds->New_Bond_To = new Fl_Input(80, y,50,25,"To");
        op->align(FL_ALIGN_TOP);
        op->callback((Fl_Callback*)New_Bond_Input_cb);
        op->labelfont(1);
        Fl_Input * oq = Bonds->New_Bond_Dia = new Fl_Input(140, y,50,25,"Diameter");
        oq->align(FL_ALIGN_TOP);
        oq->callback((Fl_Callback*)New_Bond_Input_cb);
        oq->labelfont(1);
        Fl_Input * m = Bonds->New_Bond_Min = new Fl_Input(200, y,50,25,"Min d");
        m->align(FL_ALIGN_TOP);
        m->callback((Fl_Callback*)New_Bond_Input_cb);
        m->labelfont(1);
        Fl_Input * os = Bonds->New_Bond_Max = new Fl_Input(260, y,50,25,"Max d");
        os->align(FL_ALIGN_TOP);
        os->callback((Fl_Callback*)New_Bond_Input_cb);
        os->labelfont(1);
        Flu_Combo_List * ot = Bonds->New_Bond_Color = new Flu_Combo_List(320, y,160,25,"Color");
        ot->align(FL_ALIGN_TOP);
        ot->callback((Fl_Callback*)New_Bond_Input_cb);
        Load_Color_Combo(ot);
        ot->labelfont(1);
        Fl_Group * qq = new Fl_Group(490, y,15,25,"Dash");
        qq->labelfont(1);
        qq->box(FL_THIN_UP_BOX);
        Fl_Radio_Button * ou = Bonds->New_Bond_Style = new Fl_Radio_Button(490, y,15,25,"");
        ou->callback((Fl_Callback*)New_Bond_Input_cb);
        ou->labelfont(1);
        Bonds->New_Bond_Style->type(1);
        Bonds->New_Bond_Style->selection_color((Fl_Color)1);
        Bonds->New_Bond_Style->align(FL_ALIGN_RIGHT);
        qq->end();
        y += 30;
        Fl_Button * om = Bonds->New_Bond_Add = new Fl_Button(180, y, 70, 25, "Add");
        om->callback((Fl_Callback*)New_Bond_Add_cb,&zero);
        om->deactivate();
        Fl_Button * mm = Bonds->New_Bond_Remove = new Fl_Button(270, y, 70, 25, "Remove");
        mm->callback((Fl_Callback*)New_Bond_Add_cb,&one);
        mm->deactivate();
        y += 30;
        Bonds->BondInstr2 = new Fl_Output( 25, y, 470,0,
            "Changes are temporary until \"Apply\" or \"Save\" is pressed.");
        Bonds->BondInstr2->hide();
        Bonds->BondInstr2->align(FL_ALIGN_BOTTOM);
        y += 40; 
        Fl_Text_Editor * p = new Fl_Text_Editor(250,y,200,100,"'To' Atoms & Distances");
        p->textfont(FL_COURIER);
        p->textsize(14);
        p->align(FL_ALIGN_TOP);
        p->labelfont(1);
        Bonds->Bond_Output_Buffer = new Fl_Text_Buffer;
        p->buffer(Bonds->Bond_Output_Buffer);
        Bonds->Bond_Output_Buffer->add_modify_callback((Fl_Text_Modify_Cb)Modify_Bonds_Distance_cb,(void*)NULL);
#if !defined (WIN32) && !defined (__APPLE__)
        Bonds->Bond_Edit_Window->icon((char *)drvui->icon);
#endif
        Flu_Combo_List * o = Bonds->Bond_Combo = new Flu_Combo_List(100,y,100,25,"'From' Atom");
        o->align(FL_ALIGN_TOP);
        o->labelfont(1);
        o->callback(Bond_Combo_cb);
        y += 125;
        Fl_Button * r = new Fl_Button(125, y, 70, 25, "Close");
        r->tooltip("Close this window and discard all changes.");
        r->callback((Fl_Callback*)Edit_Bond_Close_cb);
        Fl_Button * s = new Fl_Button(325, y, 70, 25, "Save");
        s->tooltip("Apply current contents of top box to drawing, then close this window.");
        s->callback((Fl_Callback*)Edit_Bond_Save_cb,&one);
        Fl_Button * a = new Fl_Button(225, y, 70, 25, "Apply");
        a->tooltip("Apply current contents of top box to drawing, but leave this window open.");
        a->callback((Fl_Callback*)Edit_Bond_Save_cb,&zero);
        Bonds->Bond_Edit_Window->end();

    } else {
        Bonds->BondInstr->hide();
        Bonds->BondInstr1->hide();
    }
    Bond_Frame_Combo_cb(NULL,NULL);
    Bonds->Bond_Edit_Window->show();
}

void Edit_Bond_Close_cb(void)
{
    Bonds->Bond_Edit_Window->hide();
    Restore_Working_Copy();                       // undo any changes
    Generate_Drawing(1);                          // regenerate
}

void Edit_Bond_Save_cb(Fl_Button *,int *save)
{
// callback routine when 'save' or 'apply' button is pressed on the Edit Bonds screen
    char type[5],atom1[5],atom2[5],color[40],widget[16382];
    int i = 0;
    unsigned int j,k;
    float dia,d1,d2;
    int Frame_No = 1;
    char * selection;

    if (drvui->max_frame > 1) {
        Frame_No = atoi(Bonds->Frame_No->value());
        for (i=1,j=1;i<drvui->nbond;i++) {           // copy parameters for other frames to
            if (drvui->bonds[i].bond_fn != Frame_No) {     //   start of list
                if ((int)j != i) {
                  drvui->bonds[j].bond_fn = drvui->bonds[i].bond_fn;
                  strncpy(drvui->bonds[j].col_bond,drvui->bonds[i].col_bond,25);
                  strncpy(drvui->bonds[j].bond_l1,drvui->bonds[i].bond_l1,4);
                  strncpy(drvui->bonds[j].bond_l2,drvui->bonds[i].bond_l2,4);
                  drvui->bonds[j].bond_l1[4]='\0';
                  drvui->bonds[j].bond_l2[4]='\0';
                  drvui->bonds[j].bond_max = drvui->bonds[i].bond_max;
                  drvui->bonds[j].bond_min = drvui->bonds[i].bond_min;
                  drvui->bonds[j].bond_size = drvui->bonds[i].bond_size;
                  drvui->bonds[j].bond_style = drvui->bonds[i].bond_style;
                }
                j++;
            }
        }
        i = j-1;
    }
    drvui->Str_File_Changed = 1;
    selection = Bonds->BondBuffer->text();
    strcpy(widget,selection);
    free(selection);
    if (strlen(widget) <10) {
      drvui->nbond = 0;
      Bonds->BondBuffer->text("");
    } else {
      while (strlen(widget) > 10) {
        i++;
        sscanf(widget," %s %s %s %f %f %f %s",type,atom1,atom2,&dia,&d1,&d2,color);
        strcpy(drvui->bonds[i].bond_l1,atom1);
        strcpy(drvui->bonds[i].bond_l2,atom2);
        drvui->bonds[i].bond_size = dia;
        drvui->bonds[i].bond_min = d1;
        drvui->bonds[i].bond_max = d2;
        trim_string(color,40);
        if (!strlen(color)) strcpy(color,"Gray20");
        strncpy(drvui->bonds[i].col_bond,color,40);
        if (!strcmp(type,"dash"))
          drvui->bonds[i].bond_style = 1;
        else
          drvui->bonds[i].bond_style = 0;
        drvui->bonds[i].bond_fn = Frame_No;
        drvui->nbond = i+1;
        for (j=0;j < strlen(widget);j++) {
            if (widget[j] == '\n') break;
        }
        for (j++,k=0;j<strlen(widget);j++)
            widget[k++] = widget[j];
        widget[k] = 0;
      }
    }
    Update_Str(0);
    Generate_Drawing(0);
    if(*save != 3) {
        Save_Working_Copy();
        Bonds->BondInstr2->hide();
    }
    if(*save==1) {
      Bonds->Bond_Edit_Window->hide();
    }
    Fl::redraw();
 }

void Edit_Changed_cb(int, int nInserted, int nDeleted,int, const char*, void* v)
{
  char title[128];
  Fl_Window *w = (Fl_Window *)v;
  if ((nInserted || nDeleted) && !Edit_loading) {
      Edit_changed = 1;
      strcpy(title,Edit_title);
      strcat(title," (modified)");
      w->label(title);
  }
}

void Edit_Ellipsoid_cb(void)
{
// Callback routine to show the Ellipsoid Parameter screen and load the widgets on that page
    char string[100];
    int i,j;
    char atom[5];
    char color[40];
    char widget[16382];

    if (!strlen(drvui->CurFile->value())) {         // Make sure rendering enabled
        Error_Box("A Structure File must be selected first.");
        return;
    }
/*
    if (!natom) {         // No atoms, no ellipsoids...
        Error_Box("This structure file does not contain any atoms.");
        return;
    }
*/
    Save_Working_Copy();
    if (!ellipsoids) {
        ellipsoids = new Ellipsoids;                 // Create the screen
#if !defined (WIN32) && !defined (__APPLE__)
        ellipsoids->Ellips_Window->icon((char *)drvui->icon);
#endif
        ellipsoids->Color_Combo->list.add("");
        ellipsoids->Color_Combo->value("");
        Load_Color_Combo(ellipsoids->Color_Combo);
        ellipsoids->show();                          // show it
        drvui->frame_no = min(drvui->frame_no,drvui->max_frame);
        set_tf_status();                             // set the flags
        sprintf(string,"%5.2f",drvui->Ellipsoid_Prob);// load the ellipsoid probability widget
        ellipsoids->Probability->value(string);
        ellipsoids->Probability->take_focus();       // set this widget with focus
        ellipsoids->Probability->position(0);
        ellipsoids->Probability->mark(strlen(ellipsoids->Probability->value()));
        if (drvui->do_ellipsoids)
            ellipsoids->Show_Ellipsoids->set();      // Show ellipsoids checkbox set
        if (drvui->El_Cutout) {
            ellipsoids->Use_Cutouts->set();          // cutout check box
            if (!strlen(drvui->Cutout_color)) strcpy(drvui->Cutout_color,"Gray20");
            ellipsoids->Cutout_Color->value(drvui->Cutout_color);  // Cutout Color widget
        } else {
            ellipsoids->Cutout_Color->deactivate();
        }  
        ellipsoids->Axis_Color->value(drvui->Ellipaxis_color);// Load ellipsoid axis color
        sprintf(string,"%6.2f",drvui->Ellipaxis_width);
        ellipsoids->Axis_Width->value(string);         // and width
        ellipsoids->Atom_Combo->list.add("");
        ellipsoids->Atom_Combo->value("");
        for (i=0; i<natom; i++) {
            if (drvui->atoms[i].atom_fn != drvui->frame_no) continue;
            if (drvui->atoms[i].TF_status > 0) {
                strcpy(string,drvui->atoms[i].atom_l);
                while (strlen(string) < 4)
                    strcat(string," ");
                sprintf(widget,"%4s%2d",string,drvui->atoms[i].sv_atom_n);
                ellipsoids->Atom_Combo->list.add(widget);
            }
        }
        for (i=0; i<natom; i++) {
            if (drvui->atoms[i].atom_fn != drvui->frame_no) continue;
            if (drvui->atoms[i].TF_status > 0) {
              int j,haveit;
              haveit=0;
              for (j=0;j<i;j++) 
                if (drvui->atoms[j].TF_status &&
                    check_atom_name(drvui->atoms[i].atom_l, drvui->atoms[j].atom_l)) 
                  haveit=1;
              if (haveit==1) continue;
              strcpy(string,drvui->atoms[i].atom_l);
              while (strlen(string) < 4)
                    strcat(string," ");
              sprintf(widget,"%4s *",string);
              ellipsoids->Atom_Combo->list.add(widget);
            }
        }
        widget[0] = '\0';
        for (i=1;i<drvui->n_ellips;i++) {
            if (drvui->ellips[i].ell_type < 1000) continue;     // skip for npd or not displayed
            memset(atom,0,5);
            strncpy(atom,drvui->ellips[i].ellips_l,4);
            atom[4] = 0;
            for(j=3;j>=0;--j) {
                if (atom[j] == ' ')
                    atom[j] = 0;
            } 
            j = drvui->ellips[i].save_el_number;
            memset(color,0,40);
            memset(string,0,100);
            strncpy(color,drvui->ellips[i].ellips_col,39);
            trim_string(color,40);
            if (!strlen(color))strcpy(color,"Gray20");
            if (j == -1) {
	      int haveit=0;
              for (j=1;j<i;j++) {
                if (check_atom_name(drvui->ellips[i].ellips_l,drvui->ellips[j].ellips_l))haveit=1;
                }
              if (haveit==0) sprintf(string,"%4s   *   %s\n",atom,color);
            
            } else
              sprintf(string,"%4s %3d   %s\n",atom,j,color);
            strcat(widget,string);
        } 
        ellipsoids->ColorInputBuf->text(widget);
    }
    ellipsoids->Ellips_Window->show();
}

void Edit_Ellipsoid_Close_cb(Fl_Button *,void *)
{
// callback from close button on ellipsoids screen
    drvui->destroy |= ELLIPSOID;
    ellipsoids->Ellips_Window->hide();
    Restore_Working_Copy();                       // undo any changes
    Generate_Drawing(1);                          // regenerate
}

void Edit_Ellipsoid_Save_cb(Fl_Button *,int * save)
{
// callback routine when 'save' or 'apply' button is pressed on the Ellipsoids Parameter screen
    char atom[5],color[40],widget[16382],num[4];
    int i;
    int j,k;
    char string[128];
    char * selection;

    drvui->Str_File_Changed = 1;
    for (i=1; i<drvui->n_ellips; i++)
        drvui->ellips[i].ell_type = 1;
    drvui->Ellipsoid_Prob = (float)atof(ellipsoids->Probability->value());
    selection = ellipsoids->ColorInputBuf->text();
    strcpy(widget,selection);
    free(selection);
    while (strlen(widget) > 10) {
        sscanf(widget,"%s %s %20s",atom,num,color);
        while (strlen(atom) < 4)
            strcat(atom," ");
	if (strstr(num,"*")) 
          j=-1;
        else 
          j=atoi(num);
        for (i=1; i<drvui->n_ellips; i++) {
            if (check_atom_name(drvui->ellips[i].ellips_l,atom) &&
                ( j == drvui->ellips[i].ellips_n || j == -1) ) {
                trim_string(color,40);
		if (!strlen(color)) strcpy(color,"Gray20");
                strcpy (drvui->ellips[i].ellips_col, color);    /* copy color */
                drvui->ellips[i].ell_type = 1001;
                drvui->ellips[i].save_el_number=j;
            }
        }
        for (j=0; j<(int)strlen(widget); j++) {
            if (widget[j] == '\n') break;
        }
        for (j++,k=0; j<(int)strlen(widget); j++)
            widget[k++] = widget[j];
        widget[k] = 0;
    }
    if (ellipsoids->Use_Cutouts->value() != 0) {
        drvui->El_Cutout = 1;
        strcpy(string,ellipsoids->Cutout_Color->value());
        if (!strlen(string)) strcpy(string,"Gray20");
        trim_string(string,40);
        strcpy(drvui->Cutout_color,string);
        strcpy(string,ellipsoids->Axis_Color->value());     // Get ellipsoid axis color
        trim_string(string,40);
        if (!strlen(string)) strcpy(string,"Gray20");
        strcpy(drvui->Ellipaxis_color,string);
    } else {
        strcpy(drvui->Cutout_color,"");
        drvui->El_Cutout = 0;
    }
    if (ellipsoids->Show_Ellipsoids->value() != 0)
        drvui->do_ellipsoids = 1;
    else
        drvui->do_ellipsoids = 0;
    drvui->Ellipaxis_width = (float)atof(ellipsoids->Axis_Width->value());
    Update_Str(0);
    Generate_Drawing(0);
    if(*save!=3) {
        Save_Working_Copy();
        ellipsoids->Instr2->hide();
    }
    if(*save==1) {
        ellipsoids->Ellips_Window->hide();
    }
    Fl::redraw();                          // update the screen
}

void Edit_LonePair_cb(void)
{
// Callback routine to show the Lone-Pair Parameter screen and load the widgets on that page
    char string[100];
    static int one = 1;
    static int zero = 0;
    int i;
    int y = 50;
    
    if (!strlen(drvui->CurFile->value())) {         // Make sure rendering enabled
      Error_Box("A Structure File must be selected first.");
      return;
    }
/*
    if (!natom) {         // No atoms, no lone-pairs...
        Error_Box("This structure file does not contain any atoms.");
        return;
    }
*/
    Save_Working_Copy();
    if (!LonePairs) {
        LonePairs = new LonePairParam;                // new instance of the lone-pair parameters
        LonePairs->LonePair_Edit_Window = new Fl_Window(50, y, 520, 350, "Edit Lone-Pair Parameters");
        LonePairs->LonePair_Edit_Window->callback((Fl_Callback*)Edit_Lone_Pair_Close_cb);
        if (drvui->max_frame > 1) {
            Flu_Combo_List * o = LonePairs->Frame_No = new Flu_Combo_List(220, y-25, 75,
                25,"Frame No.");
            o->align(FL_ALIGN_TOP);
            o->callback(LonePair_Frame_Combo_cb);
            o->labelfont(1);
            for (i=1; i<=drvui->max_frame; i++) {
                sprintf(string,"%d",i);
                o->list.add(string);
            } 
            o->pop_height(20 * drvui->max_frame);
            o->value("1");
        }
        y += 25;
        LonePairs->LonePair_Edit = new Fl_Text_Editor(25, y, 460, 75, 
          "From  #e  Height   Rad 1   Rad 2    Color        ");
        LonePairs->LonePairBuffer = new Fl_Text_Buffer;
        LonePairs->LonePairBuffer->add_modify_callback((Fl_Text_Modify_Cb)Modify_LonePair_cb,(void*)NULL);
        LonePairs->LonePair_Edit->textfont(FL_COURIER);
        LonePairs->LonePair_Edit->textsize(12);
        LonePairs->LonePair_Edit->buffer(LonePairs->LonePairBuffer);
        LonePairs->LonePair_Edit->labelfont(FL_COURIER_BOLD);
        y += 85;
        LonePairs->LonePairInst = new Fl_Output(135, y,250,0,"Press 'Add' to replace "
            "selected line - 'Remove' to delete it");
        LonePairs->LonePairInst->hide();
        LonePairs->LonePairInst->align(FL_ALIGN_BOTTOM);
        LonePairs->LonePairInst1 = new Fl_Output(135, y,250,0,"Highlight text above "
            "or double click to edit line");
        LonePairs->LonePairInst1->hide();
        LonePairs->LonePairInst1->align(FL_ALIGN_BOTTOM);
        y += 40;
        Flu_Combo_List * o = LonePairs->LonePair_Combo = new Flu_Combo_List(20,y,50,25,"From");
        o->align(FL_ALIGN_TOP);
        o->labelfont(1);
        o->callback(Lone_Pair_Combo_cb);
        Fl_Input * op = LonePairs->Number = new Fl_Input(80,y,50,25,"No. Elec.");
        op->align(FL_ALIGN_TOP);
        op->labelfont(1);
        op->callback(Lone_Pair_Combo_cb);
        Fl_Input * oq = LonePairs->Height = new Fl_Input(140,y,50,25,"Height");
        oq->align(FL_ALIGN_TOP);
        oq->labelfont(1);
        oq->callback(Lone_Pair_Combo_cb);
        Fl_Input * m = LonePairs->Radius1 = new Fl_Input(200,y,50,25,"Rad. 1");
        m->align(FL_ALIGN_TOP);
        m->labelfont(1);
        Fl_Input * os = LonePairs->Radius2 = new Fl_Input(260,y,50,25,"Rad. 2");
        os->align(FL_ALIGN_TOP);
        os->labelfont(1);
        os->callback(Lone_Pair_Combo_cb);
        Flu_Combo_List * ot = LonePairs->LonePair_Color = new Flu_Combo_List(320,y,160,25,"Color");
        ot->align(FL_ALIGN_TOP);
        Load_Color_Combo(ot);
        ot->labelfont(1);
        ot->callback(Lone_Pair_Combo_cb);
        y += 30;
        Fl_Button * om = LonePairs->LonePair_Add = new Fl_Button(180, y, 70, 25, "Add");
        om->callback((Fl_Callback*)New_Lone_Pair_Add_cb,&one);
        om->deactivate();
        Fl_Button * pm = LonePairs->LonePair_Remove = new Fl_Button(270, y, 70, 25, "Remove");
        pm->callback((Fl_Callback*)New_Lone_Pair_Add_cb,&zero);
        pm->deactivate();
        y += 30;
        LonePairs->LonePairInst2 = new Fl_Output( 25, y, 470,0,
            "Changes are temporary until \"Apply\" or \"Save\" is pressed.");
        LonePairs->LonePairInst2->hide();
        LonePairs->LonePairInst2->align(FL_ALIGN_BOTTOM);
        y += 30;
        Fl_Button * r = new Fl_Button(125, y, 70, 25, "Close");
        r->tooltip("Close this window and discard all changes.");
        r->callback((Fl_Callback*)Edit_Lone_Pair_Close_cb);
        Fl_Button * s = new Fl_Button(325, y, 70, 25, "Save");
        s->tooltip("Apply current contents of top box to drawing, then close this window.");
        s->callback((Fl_Callback*)Edit_Lone_Pair_Save_cb,&one);
        Fl_Button * a = new Fl_Button(225, y, 70, 25, "Apply");
        a->tooltip("Apply current contents of top box to drawing, but leave this window open.");
        a->callback((Fl_Callback*)Edit_Lone_Pair_Save_cb,&zero);
#if !defined (WIN32) && !defined (__APPLE__)
        LonePairs->LonePair_Edit_Window->icon((char *)drvui->icon);
#endif
        LonePairs->LonePair_Edit_Window->end();
    }
    LonePair_Frame_Combo_cb(NULL, NULL);
    LonePairs->LonePair_Edit_Window->show();
}

void Edit_Lone_Pair_Close_cb(void)
{
    drvui->destroy |= LONEPAIR;
    LonePairs->LonePair_Edit_Window->hide();
    Restore_Working_Copy();
    Generate_Drawing(1);
}

void Edit_Lone_Pair_Save_cb(Fl_Button *,int *save)
{
// callback routine when 'save' or 'apply' button is pressed on the Edit Lone Pairs screen
    char atom[4],color[40],widget[16382];
    int i = 0;
    int no = 0;
    unsigned int j,k;
    float height,d1,d2;
    int Frame_No = 1;
    char * selection;

    if (drvui->max_frame > 1) {
        Frame_No = atoi(LonePairs->Frame_No->value());
        for (i=1,j=1;i<drvui->ncone;i++) {                  // copy parameters for other frames to
            if (drvui->cones[i].cone_fn != Frame_No) {     //   start of list
                if ((int)j != i) {
                  drvui->cones[j].cone_height = drvui->cones[i].cone_height;
                  drvui->cones[j].cone_fn = drvui->cones[i].cone_fn;
                  strncpy(drvui->cones[j].col_cone,drvui->cones[i].col_cone,25);
                  strncpy(drvui->cones[j].cone_l1,drvui->cones[i].cone_l1,4);
                  drvui->cones[j].cone_max = drvui->cones[i].cone_max;
                  drvui->cones[j].cone_min = drvui->cones[i].cone_min;
                }
                j++;
            }
        }
        i = j-1;
    }

    drvui->Str_File_Changed = 1;
    selection = LonePairs->LonePairBuffer->text();
    strcpy(widget,selection);
    free(selection);
    if (strlen(widget) <10) {
      i = 0;
      strcpy(widget,"");
      LonePairs->LonePairBuffer->text(widget);
    } else {
      while (strlen(widget) > 10) {
        i++;
        sscanf(widget," %s %d %f %f %f %s",atom,&no,&height,&d1,&d2,color);
        strncpy(drvui->cones[i].cone_l1,atom,4);
        drvui->cones[i].numlonepairs = no;
        drvui->cones[i].cone_height = height;
        drvui->cones[i].cone_min = d1;
        drvui->cones[i].cone_max = d2;
        trim_string(color,40);
        if (!strlen(color))strcpy(color,"Gray20");
        strcpy(drvui->cones[i].col_cone,color);
        drvui->cones[i].cone_fn = Frame_No;
        for (j=0;j < strlen(widget);j++) {
            if (widget[j] == '\n') break;
        }
        for (j++,k=0;j<strlen(widget);j++)
            widget[k++] = widget[j];
        widget[k] = 0;
      }
    }
    drvui->ncone = i+1;
    Update_Str(0);
    Generate_Drawing(0);
    if(*save != 3) {
        Save_Working_Copy();
        LonePairs->LonePairInst2->hide();
    }
    if(*save==1) {
      LonePairs->LonePair_Edit_Window->hide();
    }
    Fl::redraw();
 }

void Edit_Maps_cb(void)
{
// Callback routine to show the Map Parameter screen and load the widgets on that page
    char string[128];
    static int one = 1;
    int y;
    int i;

    char widget[2048];
    char type[6];
	    
    if (!strlen(drvui->CurFile->value())) {         // Make sure rendering enabled
        Error_Box("A Structure File must be selected first.");
        return;
    }
    Save_Working_Copy();
    if (!Maps) {
        char title[30];
        if (drvui->Fourier2d)
             strcpy(title, "Edit 2D Map parameters");
        else
             strcpy(title, "Edit 3D Map Parameters");
        Maps = new MapsParam;                         // new instance of the map parameters
        if (drvui->modulated)
        Maps->Maps_Edit_Window = new Fl_Window(50, 50, 500, 570, title);
	else
        Maps->Maps_Edit_Window = new Fl_Window(50, 50, 500, 515, title);
        Maps->Maps_Edit_Window->callback((Fl_Callback*)Edit_Maps_Close_cb);
        y = 30;
        Maps->Filename = new Fl_Output(10, y, 260, 25, "Map Filename");
        Maps->Filename->align(FL_ALIGN_TOP);
        Maps->Filename->color((Fl_Color)17);
        Maps->Filename->labelfont(FL_COURIER_BOLD);

        Maps->Map_Browse = new Fl_Button(280, y, 70, 25, "Browse");
        Maps->Map_Browse->tooltip("Browse for new Fourier file.");
        Maps->Map_Browse->callback((Fl_Callback*)Browse_Map_File_cb);

        Maps->MapType = new Flu_Combo_List(360, y, 130, 25, "File Type");
        Maps->MapType->align(FL_ALIGN_TOP);
        Maps->MapType->list.add("GSAS - grd");
        Maps->MapType->list.add("JANA - stf");
        Maps->MapType->list.add("WIEN - w2k");
        Maps->MapType->list.add("VASP - vsp");
        Maps->MapType->list.add("FullProf - flp");
        Maps->MapType->list.add("CIF FoFc - fcf");
        Maps->MapType->list.add("O Format - dn6");
        Maps->MapType->list.add("JANA FoFc - m80");
        Maps->MapType->list.add("Exciting - exc");
        Maps->MapType->list.add("JANA - m81");
        Maps->MapType->pop_height(120);
        Maps->MapType->labelfont(FL_COURIER_BOLD);
        Maps->MapType->color((Fl_Color)17);
        Maps->MapType->callback((Fl_Callback*)MapType_cb);

        y += 55;
        Maps->Map_Info = new Fl_Button(20, y, 110, 25, "Show Map Info");
        Maps->Map_Info->tooltip("Display header information from Fourier file.");
        Maps->Map_Info->callback((Fl_Callback*)Map_Info_cb);

        Maps->MapCalc = new Fl_Button(20, y+40, 110, 25, "Save Calc Map");
        Maps->MapCalc->tooltip("Save Calculated 'fcf' Map in 'grd' format");
        Maps->MapCalc->callback((Fl_Callback*)Write_Map_cb);
        Maps->MapCalcType = new Flu_Combo_List(20, y + 90, 110, 25, "Calc Type");
        Maps->MapCalcType->align(FL_ALIGN_TOP);
        Maps->MapCalcType->list.add("Fo");
        Maps->MapCalcType->list.add("Fc");
        Maps->MapCalcType->list.add("Fo-Fc");
        Maps->MapCalcType->list.add("2Fo-Fc");
        Maps->MapCalcType->list.add("Fo2");
        Maps->MapCalcType->pop_height(80);
        Maps->MapCalcType->color((Fl_Color)17);
        if (Map_Info.map_type == 0) Maps->MapCalcType->value("Fo");
          else if (Map_Info.map_type == 1) Maps->MapCalcType->value("Fc");
          else if (Map_Info.map_type == 2) Maps->MapCalcType->value("Fo-Fc");
          else if (Map_Info.map_type == 3) Maps->MapCalcType->value("2Fo-Fc");
          else if (Map_Info.map_type == 4) Maps->MapCalcType->value("Fo2");

        strcpy(widget,"");
        Maps->MapsBuffer = new Fl_Text_Buffer;
        Maps->MapsBuffer->add_modify_callback((Fl_Text_Modify_Cb)Modify_Maps_cb,(void*)NULL);
        if (!drvui->Fourier2d) {
            Fl_Text_Editor * o = new Fl_Text_Editor(150, y, 300, 120,"Level     Type     Color     ");
            o->labelfont(FL_COURIER_BOLD);
            o->textfont(FL_COURIER);
            o->buffer(Maps->MapsBuffer);
        } else {
            Fl_Text_Editor * o = new Fl_Text_Editor(150, y, 300, 120,"Lower    Step   Upper Color ");
            o->labelfont(FL_COURIER_BOLD);
            o->textfont(FL_COURIER);
            o->buffer(Maps->MapsBuffer);
        }
        Maps->MapsInstr = new Fl_Output(20, y+130,450,0,"Press 'Add' to replace "
            "selected line - 'Remove' to delete it");
        Maps->MapsInstr->hide();
        Maps->MapsInstr->align(FL_ALIGN_BOTTOM);
        Maps->MapsInstr1 = new Fl_Output(70, y+130,450,0,"Highlight text above "
            "or double click to edit line");
        Maps->MapsInstr1->align(FL_ALIGN_BOTTOM);
        y += 160;
        if (!drvui->Fourier2d) {
            Maps->Level = new Fl_Input(80, y, 70, 25, "Contour Level");
            Maps->Level->align(FL_ALIGN_BOTTOM);
            Maps->Level->callback((Fl_Callback*)New_Map_Input_cb);
            Maps->Type = new Flu_Combo_List(170, y, 90, 25, "Type");
            Maps->Type->align(FL_ALIGN_BOTTOM);
            Maps->Type->callback((Fl_Callback*)New_Map_Input_cb);
            Maps->Type->list.add("mesh");
            Maps->Type->list.add("solid");
            Maps->Type->pop_height(40);
        } else {
            Maps->Level = new Fl_Input(40, y, 70, 25, "Lower");
            Maps->Level->align(FL_ALIGN_BOTTOM);
            Maps->Level->callback((Fl_Callback*)New_Map_Input_cb);
            Maps->Step = new Fl_Input(120, y, 70, 25, "Step");
            Maps->Step->align(FL_ALIGN_BOTTOM);
            Maps->Step->callback((Fl_Callback*)New_Map_Input_cb);
            Maps->Top = new Fl_Input(200, y, 70, 25, "Upper");
            Maps->Top->align(FL_ALIGN_BOTTOM);
            Maps->Top->callback((Fl_Callback*)New_Map_Input_cb);
        }
        Maps->Color = new Flu_Combo_List(280,y,160,25,"Color");
        Load_Color_Combo(Maps->Color);
        Maps->Color->align(FL_ALIGN_TOP);
        Maps->Color->callback((Fl_Callback*)New_Map_Input_cb);
        Load_Color_Combo(Maps->Color);
        Maps->Color->align(FL_ALIGN_BOTTOM);
        y += 45;
        Fl_Button * om;
        Fl_Button * mm;
        om = Maps->Add_Button = new Fl_Button(180, y, 70, 25, "Add");
        om->callback((Fl_Callback*)New_Map_Add_cb,&one);
        om->tooltip("When active, press to transfer data in boxes to window above");
        om->deactivate();
        mm = Maps->Remove_Button = new Fl_Button(270, y, 70, 25, "Remove");
        mm->callback((Fl_Callback*)New_Map_Add_cb,&zero);
        mm->tooltip("When active, press to remove highlighted line.");
        mm->deactivate();
        y += 30;
        Maps->MapsInstr2 = new Fl_Output( 25, y, 450,0,
            "Changes are temporary until \"Apply\" or \"Save\" is pressed.");
        Maps->MapsInstr2->hide();
        Maps->MapsInstr2->align(FL_ALIGN_BOTTOM);
        y += 30;
        Maps->XMin = new Fl_Input(80, y, 100, 25, "XMin");
        Maps->XMin->align(FL_ALIGN_BOTTOM);
        Maps->XMin->color((Fl_Color)17);
        Maps->YMin = new Fl_Input(200, y, 100, 25, "YMin");
        Maps->YMin->align(FL_ALIGN_BOTTOM);
        Maps->YMin->color((Fl_Color)17);
        Maps->ZMin = new Fl_Input(320, y, 100, 25, "ZMin");
        Maps->ZMin->align(FL_ALIGN_BOTTOM);
        Maps->ZMin->color((Fl_Color)17);
        y += 55;
        Maps->XMax = new Fl_Input(80, y, 100, 25, "XMax");
        Maps->XMax->align(FL_ALIGN_BOTTOM);
        Maps->XMax->color((Fl_Color)17);
        Maps->YMax = new Fl_Input(200, y, 100, 25, "YMax");
        Maps->YMax->align(FL_ALIGN_BOTTOM);
        Maps->YMax->color((Fl_Color)17);
        Maps->ZMax = new Fl_Input(320, y, 100, 25, "ZMax");
        Maps->ZMax->align(FL_ALIGN_BOTTOM);
        Maps->ZMax->color((Fl_Color)17);
        y += 55;
        if (drvui->modulated) {
          Maps->X4 = new Flu_Spinner(110, y, 50, 25, "x4");
          Maps->X4->value(x4Val);
          Maps->X4->minimum(Map_Info.x4lim[0]);
          Maps->X4->maximum(Map_Info.x4lim[1]);
          Maps->X4->step(x4step);
          Maps->X4->callback((Fl_Callback*)Edit_Maps_Save_cb,&zero);
          if (x4step <0.001) Maps->X4->deactivate();
          Maps->X5 = new Flu_Spinner(230, y, 50, 25, "x5");
          Maps->X5->value(x5Val);
          Maps->X5->minimum(Map_Info.x5lim[0]);
          Maps->X5->maximum(Map_Info.x5lim[1]);
          Maps->X5->step(x5step);
          Maps->X5->callback((Fl_Callback*)Edit_Maps_Save_cb,&zero);
          if (x5step <0.001) Maps->X5->deactivate();
          Maps->X6 = new Flu_Spinner(350, y, 50, 25, "x6");
          Maps->X6->value(x6Val);
          Maps->X6->minimum(Map_Info.x6lim[0]);
          Maps->X6->maximum(Map_Info.x6lim[1]);
          Maps->X6->step(x6step);
          Maps->X6->callback((Fl_Callback*)Edit_Maps_Save_cb,&zero);
          if (x6step <0.001) Maps->X6->deactivate();
          y += 55;
        }
        Fl_Button * r = new Fl_Button(125, y, 70, 25, "Close");
        r->tooltip("Close this window and discard all changes.");
        r->callback((Fl_Callback*)Edit_Maps_Close_cb);
        Fl_Button * s = new Fl_Button(325, y, 70, 25, "Save");
        s->tooltip("Apply current contents of top box to drawing, then close this window.");
        s->callback((Fl_Callback*)Edit_Maps_Save_cb,&one);
        Fl_Button * a = new Fl_Button(225, y, 70, 25, "Apply");
        a->tooltip("Apply current contents of top box to drawing, but leave this window open.");
        a->callback((Fl_Callback*)Edit_Maps_Save_cb,&zero);
#if !defined (WIN32) && !defined (__APPLE__)
        Maps->Maps_Edit_Window->icon((char *)drvui->icon);
#endif
    }
    strcpy(widget,"");
    for (i =1; i <= drvui->numOfFourierContours; i++) {           // fill in the widgets
        if (!drvui->Fourier2d) {
            if (drvui->fourier[i].FourierContourSolid)
                strcpy(type,"solid");
            else
                strcpy(type,"mesh ");
            sprintf(string,"%8.3f     %6s    %s\n", drvui->fourier[i].FourierContourLevel, type,
                    drvui->fourier[i].FourierContourColor);
        } else {
            sprintf(string, "%7.3f %7.3f %7.3f %s\n", drvui->fourier[i].FourierContourLevel,
                    drvui->fourier[i].FourierContourStep, drvui->fourier[i].FourierContourTop,
                    drvui->fourier[i].FourierContourColor);
        }
        strcat(widget,string);
    }
    Maps->MapsBuffer->text(widget);
    if (ReadFourMap) {
        if (FourierMapType == 1) Maps->MapType->value("GSAS - grd");
        if (FourierMapType == 2) Maps->MapType->value("JANA - stf");
        if (FourierMapType == 3) Maps->MapType->value("WIEN - w2k");
        if (FourierMapType == 4) Maps->MapType->value("VASP - vsp");
        if (FourierMapType == 5) Maps->MapType->value("FullProf - flp");
        if (FourierMapType == 6) Maps->MapType->value("CIF FoFc - fcf");
        if (FourierMapType == 7) Maps->MapType->value("O Format - dn6");
        if (FourierMapType == 8) Maps->MapType->value("JANA FoFc - m80");
        if (FourierMapType == 9) Maps->MapType->value("Exciting - exc");
        if (FourierMapType == 10) Maps->MapType->value("JANA - m81");
        Maps->Filename->value(FourierFileName);
        sprintf(string,"%.3f",xMin);
        Maps->XMin->value(string);
        sprintf(string,"%.3f",xMax);
        Maps->XMax->value(string);
        sprintf(string,"%.3f",yMin);
        Maps->YMin->value(string);
        sprintf(string,"%.3f",yMax);
        Maps->YMax->value(string);
        sprintf(string,"%.3f",zMin);
        Maps->ZMin->value(string);
        sprintf(string,"%.3f",zMax);
        Maps->ZMax->value(string);
    }
    Maps->MapsInstr1->show();

    Maps->Maps_Edit_Window->end();
    Maps->Maps_Edit_Window->show();
    MapType_cb();
}

void Edit_Maps_Close_cb(void)
{



    Maps->Maps_Edit_Window->~Fl_Window();         // this window needs to be deleted
    delete(Maps->Maps_Edit_Window);               // not just killed (2d/3d nature might change)
    delete(Maps->MapsBuffer);
    delete(Maps);
    Maps = NULL;
    Restore_Working_Copy();                       // undo any changes
    Generate_Drawing(1);                          // regenerate
}

void Edit_Maps_Save_cb(Fl_Button *,int *save)
{
// callback routine when 'save' or 'apply' button is pressed on the Edit Maps screen
    char type[5],color[40],widget[16382];
    unsigned int j,k;
    int i = 0;
    float level, step, top;

    char * selection = Maps->MapsBuffer->text();
    strcpy(widget,selection);
    free(selection);
    if (strlen(widget) <10) {
      drvui->numOfFourierContours = 0;
      strcpy(widget,"");
      Maps->MapsBuffer->text(widget);
    } else {
      while (strlen(widget) > 10) {
        i++;
        if (drvui->Fourier2d)
            sscanf(widget, "%f %f %f %s", &level, &step, &top, color);
        else
            sscanf(widget,"%f %s %s",&level,type,color);
        trim_string(color,40);
        if (!strlen(color))strcpy(color,"Gray20");
        drvui->fourier[i].FourierContourLevel = level;
        if (!drvui->Fourier2d) {
            if(strncmp(type, "mesh", 4) == 0)
                drvui->fourier[i].FourierContourSolid = 0;
            else
                drvui->fourier[i].FourierContourSolid = 1;
        } else {
            drvui->fourier[i].FourierContourStep = step;
            drvui->fourier[i].FourierContourTop = top;
        }
        strcpy(drvui->fourier[i].FourierContourColor,color);
        drvui->numOfFourierContours = i;
        for (j=0;j < strlen(widget);j++) {
            if (widget[j] == '\n') break;
        }
        for (j++,k=0;j<strlen(widget);j++)
            widget[k++] = widget[j];
        widget[k] = 0;
      }
    }
    strcpy(widget,Maps->Filename->value());
    if (strcmp(widget,FourierFileName)) {
        strcpy(FourierFileName,widget);               // File name changed
        if (FourierPt) {
            free(FourierPt);
            FourierPt = NULL;
        }
    }
    if (!strcmp(Maps->MapType->value(),"GSAS - grd"))FourierMapType = 1;
    if (!strcmp(Maps->MapType->value(),"JANA - stf"))FourierMapType = 2;
    if (!strcmp(Maps->MapType->value(),"WIEN - w2k"))FourierMapType = 3;
    if (!strcmp(Maps->MapType->value(),"VASP - vsp"))FourierMapType = 4;
    if (!strcmp(Maps->MapType->value(),"FullProf - flp"))FourierMapType = 5;
    if (!strcmp(Maps->MapType->value(),"CIF FoFc - fcf"))FourierMapType = 6;
    if (!strcmp(Maps->MapType->value(),"O Format - dn6"))FourierMapType = 7;
    if (!strcmp(Maps->MapType->value(),"JANA FoFc - m80"))FourierMapType = 8;
    if (!strcmp(Maps->MapType->value(),"Exciting - exc"))FourierMapType = 9;
    if (!strcmp(Maps->MapType->value(),"JANA - m81"))FourierMapType = 10;
    sscanf(Maps->XMin->value(),"%f",&xMin);
    sscanf(Maps->YMin->value(),"%f",&yMin);
    sscanf(Maps->ZMin->value(),"%f",&zMin);
    sscanf(Maps->XMax->value(),"%f",&xMax);
    sscanf(Maps->YMax->value(),"%f",&yMax);
    sscanf(Maps->ZMax->value(),"%f",&zMax);
    if (FourierMapType == 6 || FourierMapType == 8) {
        if (const char * temp = Maps->MapCalcType->value()) {
            int i=0;
            if (!strcmp(temp,"Fo")) i = 0;
            else if (!strcmp(temp,"Fc")) i = 1;
            else if (!strcmp(temp,"Fo-Fc")) i = 2;
            else if (!strcmp(temp,"2Fo-Fc")) i = 3;
            if (i != Map_Info.map_type) {
                Map_Info.map_type = i;
                Map_Info.info_valid = 0;
                if( FourierPt) {
                    free(FourierPt);
                    FourierPt = NULL;
                }
            }
        }
    }
    if (drvui->modulated) {
      if (x4step > 0.0f)
        x4Val=(float)Maps->X4->value();
      if (x5step > 0.0f)
        x5Val=(float)Maps->X5->value();
      if (x6step > 0.0f)
        x6Val=(float)Maps->X6->value();
    }
    drvui->Str_File_Changed = 1;
    if(*save!=3) {
      Save_Working_Copy();
      Maps->MapsInstr2->hide();
    }
    if(*save==1) {
      Fl::delete_widget(Maps->Maps_Edit_Window);
//      Maps->Maps_Edit_Window->~Fl_Window();         // this window needs to be deleted
//      delete(Maps->Maps_Edit_Window);               // not just killed (2d/3d nature might change)
//      delete(Maps->MapsBuffer);
      delete(Maps);
      Maps = NULL;
    }
    Update_Str(0);
    Generate_Drawing(0);
    Fl::redraw();
}

void Edit_Parmeters_cb(void)
{
// Callback routine to show the Edit Parameter screen and load the widgets on that page
    char string[40];

    if (!strlen(drvui->CurFile->value())) {         // Make sure rendering enabled
        Error_Box("A Structure File must be selected first.");
        return;
    }
    if (!edtprm) {
        edtprm = new EditScreen;                         // Create the screen
        if (!Omit->nomits) {
            edtprm->ClearLastOmit->deactivate();
            edtprm->ClearOmit->deactivate();
        }   
#if !defined (WIN32) && !defined (__APPLE__)
        edtprm->editWindow->icon((char *)drvui->icon);
#endif
        edtprm->show();                                  // show it
    }
    sprintf(string,"%6.1f",printdist);               // load the bond limit distance widget
    edtprm->List->value(string);
    sprintf(string,"%5.2f",Magnification);           // Magnification widget
    edtprm->Magnification->value(string);
    if (drvui->noshadow)
        edtprm->NoShadow->set();
    if (Labels==0)
        edtprm->NoLabels->set();
    if (domolcomp) {
        sprintf(string,"%5.2f",drvui->mol_d);
        edtprm->Mol_Comp_Dist->value(string);        // Molecule completion stuff
        edtprm->MolCompButton->set();                // set check button
    } 
    sprintf(string,"%6.3f",DepthCue);
    edtprm->DepthCue->value(string);                 // Depth Cue widget
    Load_Color_Combo(edtprm->Cell_Edge_Color);
    edtprm->Cell_Edge_Color->value(drvui->col_cell); // load cell axis line color
    sprintf(string,"%6.3f",rad_cell);
    edtprm->Cell_Edge_Width->value(string);          //   and width
    sprintf(string,"%6.2f",drvui->polylimit);        // load polyhedral limit
    edtprm->Poly_Limit->value(string);
    sprintf(string,"%7.2f",drvui->Phong_Value);      // load phong value
    edtprm->Phong_Refl->value(string);
    sprintf(string,"%7.0f",drvui->Phong_Size);       //  and size
    edtprm->Phong_Size->value(string);
    sprintf(string,"%6.2f",drvui->ambient);          // load default POV ambient,
    edtprm->Ambient_Finish->value(string);
    sprintf(string,"%6.2f",drvui->diffuse);          // diffuse,
    edtprm->Diffuse_Finish->value(string);
    sprintf(string,"%6.2f",drvui->specular);         // specular finish and
    edtprm->Specular_Finish->value(string);
    sprintf(string,"%6.2f",drvui->roughness);        // surface roughness
    edtprm->Finish_Roughness->value(string);
    strcpy(string,drvui->col_bg);                    // load background color
    Load_Color_Combo(edtprm->Background_Color);
    edtprm->Background_Color->value(string);
    sprintf(string,"%.3f",drvui->label_scale);
    edtprm->Label_Scale->value(string);
    edtprm->editWindow->show();
}

void Edit_Parmeters_Close_cb(Fl_Button *,void *) 
{
// callback routine when the 'close' button is pushed
    edtprm->editWindow->hide();                         // hide the window
    Fl::redraw();                                       // update the screen
}

void Edit_Parmeters_Save_cb(Fl_Button *,int * tosave)
{
// callback routine when 'save' or 'apply' button is pressed on the Edit Parameter screen

    Magnification = (float)atof(edtprm->Magnification->value()); // extract data from widgets
    printdist = (float)atof(edtprm->List->value());
    DepthCue = (float)atof(edtprm->DepthCue->value());
    drvui->label_scale = (float)atof(edtprm->Label_Scale->value());
    strcpy(drvui->col_cell,edtprm->Cell_Edge_Color->value());
    trim_string(drvui->col_cell,39);
    if (!strlen(drvui->col_cell))strcpy(drvui->col_cell,"White");
    rad_cell = (float)atof(edtprm->Cell_Edge_Width->value());
    drvui->polylimit = (float)atof(edtprm->Poly_Limit->value());
    drvui->Phong_Value = (float)atof(edtprm->Phong_Refl->value());
    drvui->Phong_Size = (float)atof(edtprm->Phong_Size->value());
    drvui->ambient = (float)atof(edtprm->Ambient_Finish->value());
    drvui->diffuse = (float)atof(edtprm->Diffuse_Finish->value());
    drvui->specular = (float)atof(edtprm->Specular_Finish->value());
    drvui->roughness = (float)atof(edtprm->Finish_Roughness->value());
    strcpy(drvui->col_bg, edtprm->Background_Color->value());
    trim_string(drvui->col_bg,39);
    if (!strlen(drvui->col_bg))strcpy(drvui->col_bg,"White");
    drvui->noshadow = 0;
    if (edtprm->NoShadow->value())
        drvui->noshadow = 1;
    Labels = 1;
    if (edtprm->NoLabels->value()) {
        int i,j=1,k,l;
        Labels = 0;
        for (i=1; i<drvui->nlabel; i++)  {
            if(!strcmp(drvui->labels[i].label_label,"a")) drvui->labels[i].label_fn = 0;
            if(!strcmp(drvui->labels[i].label_label,"b")) drvui->labels[i].label_fn = 0;
            if(!strcmp(drvui->labels[i].label_label,"c")) drvui->labels[i].label_fn = 0;
            if(!strcmp(drvui->labels[i].label_label,"o")) drvui->labels[i].label_fn = 0;
            if(!strcmp(drvui->labels[i].label_label,"triple_vect")) drvui->labels[i].label_fn = 0;
        }
        for (i=1; i<drvui->nlabel; i++) {
            if (drvui->labels[i].label_fn > 0) j++;
            if (j != i) {
                l = j;
                for (k=i+1; k<drvui->nlabel; k++) {
                    drvui->labels[l].label_fn = drvui->labels[k].label_fn;
                    strcpy(drvui->labels[l].label_label, drvui->labels[k].label_label);
                    drvui->labels[l].label_x[0] = drvui->labels[k].label_x[0];
                    drvui->labels[l].label_x[1] = drvui->labels[k].label_x[1];
                    drvui->labels[l++].label_x[2] = drvui->labels[k].label_x[2];
                }
            }
        }
        drvui->nlabel = j;
    } else {
        label_cell();
    }
    if (edtprm->MolCompButton->value() != 0) {
      float temp;
      temp = (float)atof(edtprm->Mol_Comp_Dist->value());
      if (temp > 3.5f) {
          char string[100];
          sprintf(string,"A molecular completion distance of %5.2f is very\n"
              "large. Are you sure you wish to continue?",temp);
          if (!fl_choice(string,"No","Yes",NULL)) return;
      }
      drvui->mol_d = temp;
      domolcomp = 1;
    } else {
      drvui->mol_d = 0.0;
      domolcomp = 0;
    }
    if (edtprm->ClearOmit->value() != 0) {
      Omit->nomits = 0;         // dump the omit list if ClearOmit button checked
    }
    drvui->Str_File_Changed = 1;
    Update_Str(0);                                  // update the 'str' file
    Generate_Drawing(0);                            // regenerate the drawing
    if(*tosave) {
        edtprm->editWindow->hide();                 // hide the window if 'save'
    }
    Fl::redraw();                                   // update the screen
}

void Edit_Polyhedra_cb(void)
{
// callback routine to load polyhedra edit screen
    char string[100];
    static int one = 1;
    static int zero = 0;
    int i;
    int y = 25;
    
    if (!strlen(drvui->CurFile->value())) {         // Make sure rendering enabled
        Error_Box("A Structure File must be selected first.");
        return;
    }
/*
    if (!natom) {         // No atoms, no polyhedra...
        Error_Box("This structure file does not contain any atoms.");
        return;
    }
*/
    Save_Working_Copy();
    if (!Polyhedra) {
        Polyhedra = new PolyParam;                // new instance of the polyhedra parameters
        Polyhedra->Polyhedra_Edit_Window = new Fl_Window(50, 50, 520, 520, "Edit Polyhedral/Plane Parameters");
        Polyhedra->Polyhedra_Edit_Window->callback((Fl_Callback*)Edit_Polyhedra_Close_cb);
        if (drvui->max_frame > 1) {
            Flu_Combo_List * o = Polyhedra->Frame_No = new Flu_Combo_List(220, y, 75, 25,"Frame No.");
            o->align(FL_ALIGN_TOP);
            o->callback(Polyhedra_Frame_Combo_cb);
            o->labelfont(1);
            for (i=1; i<=drvui->max_frame; i++) {
                sprintf(string,"%d",i);
                o->list.add(string);
            } 
            o->pop_height(20 * drvui->max_frame);
            o->value("1");
        }
        y += 50;
        Polyhedra->Polyhedra_Edit = new Fl_Text_Editor(25, y, 450, 95, 
          "Type    From     To   Min d    Max d    Color          ");
        Polyhedra->PolyhedraBuffer = new Fl_Text_Buffer;
        Polyhedra->PolyhedraBuffer->add_modify_callback((Fl_Text_Modify_Cb)Modify_Polyhedra_cb,(void*)NULL);
        Polyhedra->Polyhedra_Edit->textfont(FL_COURIER);
        Polyhedra->Polyhedra_Edit->textsize(12);
        Polyhedra->Polyhedra_Edit->buffer(Polyhedra->PolyhedraBuffer);
        Polyhedra->Polyhedra_Edit->labelfont(FL_COURIER_BOLD);
        y += 105;
        Polyhedra->PolyInstr = new Fl_Output(135, y,250,0,"Press 'Add' to replace "
            "selected line - 'Remove' to delete it");
        Polyhedra->PolyInstr->hide();
        Polyhedra->PolyInstr->align(FL_ALIGN_BOTTOM);
        Polyhedra->PolyInstr1 = new Fl_Output(135, y,250,0,"Highlight text above "
            "or double click to edit line");
        Polyhedra->PolyInstr1->hide();
        Polyhedra->PolyInstr1->align(FL_ALIGN_BOTTOM);
        y += 40;
        Polyhedra->New_Polyhedra_From = new Fl_Input(20,y,50,25,"From");
        Polyhedra->New_Polyhedra_From->align(FL_ALIGN_TOP);
        Polyhedra->New_Polyhedra_From->labelfont(1);
        Fl_Input * op = Polyhedra->New_Polyhedra_To = new Fl_Input(80,y,50,25,"To");
        op->align(FL_ALIGN_TOP);
        op->callback((Fl_Callback*)New_Polyhedra_Input_cb);
        op->labelfont(1);
        Fl_Input * m = Polyhedra->New_Polyhedra_Min = new Fl_Input(140,y,50,25,"Min d");
        m->align(FL_ALIGN_TOP);
        m->callback((Fl_Callback*)New_Polyhedra_Input_cb);
        m->labelfont(1);
        Fl_Input * os = Polyhedra->New_Polyhedra_Max = new Fl_Input(200,y,50,25,"Max d");
        os->align(FL_ALIGN_TOP);
        os->callback((Fl_Callback*)New_Polyhedra_Input_cb);
        os->labelfont(1);
        Flu_Combo_List * ot = Polyhedra->New_Polyhedra_Color = new Flu_Combo_List(260,y,160,25,"Color");
        ot->align(FL_ALIGN_TOP);
        ot->callback((Fl_Callback*)New_Polyhedra_Input_cb);
        ot->labelfont(1);
        Load_Color_Combo(ot);
	Fl_Input * ou = Polyhedra->New_Polyhedra_Transp = new Fl_Input(430, y, 50, 25, "Transp.");
	ou->callback((Fl_Callback*)New_Polyhedra_Input_cb);
	ou->align(FL_ALIGN_TOP);
        ou->labelfont(1);
        y += 30;
        Fl_Button * om = Polyhedra->New_Polyhedra_Add = new Fl_Button(180, y, 70, 25, "Add");
        om->callback((Fl_Callback*)New_Polyhedra_Add_cb,&one);
        om->tooltip("When active, press to transfer data in boxes to window above");
        om->deactivate();
        Fl_Button * mm = Polyhedra->New_Polyhedra_Remove = new Fl_Button(270, y, 70, 25, "Remove");
        mm->callback((Fl_Callback*)New_Polyhedra_Add_cb,&zero);
        mm->tooltip("When active, press to remove highlighted line.");
        mm->deactivate();
        y += 30;
        Polyhedra->PolyInstr2 = new Fl_Output( 25, y, 470,0,
            "Changes are temporary until \"Apply\" or \"Save\" is pressed.");
        Polyhedra->PolyInstr2->hide();
        Polyhedra->PolyInstr2->align(FL_ALIGN_BOTTOM);
        y += 40;
        Fl_Group * qq = new Fl_Group(30,y,150,90,"Polyhedra/Plane Type");
        qq->labelfont(1);
        qq->box(FL_THIN_UP_BOX);
        Polyhedra->Polysz = new Fl_Radio_Button(40,y+10,12,12,"Polysz (PS) Style");
        Polyhedra->Polysz->type(102);
        Polyhedra->Polysz->selection_color((Fl_Color)1);
        Polyhedra->Polysz->align(FL_ALIGN_RIGHT);
        Polyhedra->Polysz->set();
        Polyhedra->Polyvert = new Fl_Radio_Button(40,y+30,12,12,"Polyvert (PV) Style");
        Polyhedra->Polyvert->type(102);
        Polyhedra->Polyvert->selection_color((Fl_Color)1);
        Polyhedra->Polyvert->align(FL_ALIGN_RIGHT);
        Polyhedra->Polyshell = new Fl_Radio_Button(40,y+50,12,12,"Shell (SH) Style");
        Polyhedra->Polyshell->type(102);
        Polyhedra->Polyshell->selection_color((Fl_Color)1);
        Polyhedra->Polyshell->align(FL_ALIGN_RIGHT);
        Polyhedra->Plane = new Fl_Radio_Button(40,y+70,12,12,"Plane (PL) Style");
        Polyhedra->Plane->type(102);
        Polyhedra->Plane->selection_color((Fl_Color)1);
        Polyhedra->Plane->align(FL_ALIGN_RIGHT);
        qq->end();
        Flu_Combo_List * o = Polyhedra->Polyhedra_Combo = new Flu_Combo_List(200,y,100,25,"'From' Atom");
        o->align(FL_ALIGN_TOP);
        o->labelfont(1);
        o->callback(Polyhedra_Combo_cb);
        Fl_Text_Editor * p = new Fl_Text_Editor(310,y,200,100,"'To' Atoms & Distances");
        p->textfont(FL_COURIER);
        p->textsize(14);
        p->align(FL_ALIGN_TOP);
        p->labelfont(1);
        Polyhedra->Polyhedra_Output_Buffer = new Fl_Text_Buffer;
        Polyhedra->Polyhedra_Output_Buffer->add_modify_callback((Fl_Text_Modify_Cb)Modify_Polyhedra_Distance_cb,(void*)NULL);
        p->buffer(Polyhedra->Polyhedra_Output_Buffer);
        y += 120;
        Polyhedra->Edge_Radius = new Fl_Input(150, y, 100, 25, "Edge Radius");
        Polyhedra->Edge_Radius->align(FL_ALIGN_TOP);
        Polyhedra->Edge_Radius->labelfont(1);
        Polyhedra->Edge_Color = new Flu_Combo_List(270, y, 120, 25, "Edge Color");
        Polyhedra->Edge_Color->align(FL_ALIGN_TOP);
        Polyhedra->Edge_Color->labelfont(1);
        Load_Color_Combo(Polyhedra->Edge_Color);
        Polyhedra->Edge_Color->value(drvui->col_edge);
        sprintf(string,"%6.3f",drvui->rad_edge);
        Polyhedra->Edge_Radius->value(string);
#if !defined (WIN32) && !defined (__APPLE__)
        Polyhedra->Polyhedra_Edit_Window->icon((char *)drvui->icon);
#endif
        y += 35;
        Fl_Button * r = new Fl_Button(125, y, 70, 25, "Close");
        r->tooltip("Close this window and discard all changes.");
        r->callback((Fl_Callback*)Edit_Polyhedra_Close_cb);
        Fl_Button * a = new Fl_Button(225, y, 70, 25, "Apply");
        a->tooltip("Apply current contents of top box to drawing, but leave this window open.");
        a->callback((Fl_Callback*)Edit_Polyhedra_Save_cb,&zero);
        Fl_Button * s = new Fl_Button(325, y, 70, 25, "Save");
        s->tooltip("Apply current contents of top box to drawing, then close this window.");
        s->callback((Fl_Callback*)Edit_Polyhedra_Save_cb,&one);
        Polyhedra->Polyhedra_Edit_Window->end();
     }
     Polyhedra_Frame_Combo_cb(NULL,NULL);
     Polyhedra->Polyhedra_Edit_Window->show();
}

void Load_Color_Combo(Flu_Combo_List * ot)
{
    int j, k = strlen(Colors_Combo), l = 0;
    char string[20];

    if (ot->list.size() >1) return;

    for (j = 0; j < k; j++) {
        if( Colors_Combo[j] != '\n' ) {
            string[l++] = Colors_Combo[j];
        } else {
            string[l++] = 0;
            l = 0;
            ot->list.add(string);
        }
    }
    ot->pop_height(300);
}



void Edit_Modparms_Close_cb()
{
    Modparms->Mods_Edit_Window->hide();

     drvui->modulated = Modparms->saved_avg;
     if (drvui->modulated == -1) 
       Modparms->Mod_average->set();
     else
       Modparms->Mod_average->clear();
     for (int i=0;i<3;i++)
       drvui->phaseshift[i] = Modparms->saved_t[i];
     Modparms->Mod_t0->value(drvui->phaseshift[0]);
     Modparms->Mod_t1->value(drvui->phaseshift[1]);
     Modparms->Mod_t2->value(drvui->phaseshift[2]);
    if (Modparms->Mod_average->value() != 0) {
      Modparms->Mod_t0->deactivate();
      Modparms->Mod_t1->deactivate();
      Modparms->Mod_t2->deactivate();
    } else {
      Modparms->Mod_t0->activate();
      if (drvui->no_cell_vec > 1) 
        Modparms->Mod_t1->activate();
      if (drvui->no_cell_vec > 2) 
        Modparms->Mod_t2->activate();
    }

    drvui->Str_File_Changed = 1;
    Update_Str(0);                                  // update the 'str' file
    Generate_Drawing(1);                          // regenerate
    Fl::redraw();                                   // update the screen
}

void Edit_Modparms_Change_cb()
{
    if (Modparms->Mod_average->value() != 0) {
      drvui->modulated = -1;         
      Modparms->Mod_t0->deactivate();
      Modparms->Mod_t1->deactivate();
      Modparms->Mod_t2->deactivate();
    } else {
      drvui->modulated = 1;
      Modparms->Mod_t0->activate();
      if (drvui->no_cell_vec > 1)
        Modparms->Mod_t1->activate();
      if (drvui->no_cell_vec > 2)
        Modparms->Mod_t2->activate();
    }

    drvui->phaseshift[0] = (float)Modparms->Mod_t0->value();
    drvui->phaseshift[1] = (float)Modparms->Mod_t1->value();
    drvui->phaseshift[2] = (float)Modparms->Mod_t2->value();

    drvui->Str_File_Changed = 1;
    Update_Str(0);                                  // update the 'str' file
    Generate_Drawing(0);
    Fl::redraw();
}

void Edit_Modparms_Save_cb(Fl_Button *, int* save)
{
  int i,j,k,n;
  float d1,d2;
  char atom1[5],numb[5],widget[16382];
    if (Modparms->Mod_average->value() != 0) {
      drvui->modulated = -1;         
      Modparms->Mod_t0->deactivate();
      Modparms->Mod_t1->deactivate();
      Modparms->Mod_t2->deactivate();
    } else {
      drvui->modulated = 1;
      Modparms->Mod_t0->activate();
      if (drvui->no_cell_vec > 1)
        Modparms->Mod_t1->activate();
      if (drvui->no_cell_vec > 2)
        Modparms->Mod_t2->activate();
    }
    drvui->phaseshift[0] = (float)Modparms->Mod_t0->value();
    drvui->phaseshift[1] = (float)Modparms->Mod_t1->value();
    drvui->phaseshift[2] = (float)Modparms->Mod_t2->value();
     Modparms->saved_avg=drvui->modulated;
     for (i=0;i<3;i++) 
       Modparms->saved_t[i]=drvui->phaseshift[i];

    for (j=0;j<natom;j++) {
	drvui->atoms[j].occupancy=1.;
	drvui->atoms[j].min_occ=0.;
    }
    char * selection = Modparms->Occ_Buffer->text();
    strcpy(widget,selection);
    free(selection);
    if (strlen(widget) <10) {
      strcpy(widget,"");
      Modparms->Occ_Buffer->text(widget);
    } else {
      while (strlen(widget) > 10) {
        memset(atom1,0,5);
        (void)sscanf(widget,"%4c %s %f %f",atom1,numb,&d1,&d2);
       if (strstr(numb,"*"))
            n = -1;
        else
            (void)sscanf(numb,"%d",&n);
       for (j=0;j< natom;j++) {
         if (check_atom_name(atom1,drvui->atoms[j].atom_l) &&
             (n == -1 || n == drvui->atoms[j].sv_atom_n) ) {
           drvui->atoms[j].occupancy=d1;
           drvui->atoms[j].min_occ=d2;
           break;
         }
       }
       for (j=0;j < (int)strlen(widget);j++) {
         if (widget[j] == '\n') break;
       }
       for (j++,k=0;j<(int)strlen(widget);j++)
         widget[k++] = widget[j];
       widget[k] = 0;
      }
    }
    drvui->Str_File_Changed = 1;
    Update_Str(0);                                  // update the 'str' file
    Generate_Drawing(0);                            // regenerate the drawing

    if(*save) 
        Modparms->Mods_Edit_Window->hide();                 // hide the window if 'save'
    Fl::redraw();                                   // update the screen
}

void Edit_Modparms_cb(void)
{
// Callback routine to show the Modulation Options screen and load the widgets on that page
    static int one = 1;
    static int zero = 0;
    char string[10],buffer[40];
    int i,y;

    if (!strlen(drvui->CurFile->value())) {         // Make sure rendering enabled
        Error_Box("A Structure File must be selected first.");
        return;
    }
    if (drvui->modulated == 0 ) {         // Make sure we have a modulated structure
        Error_Box("This Structure does not appear to be modulated.");
        return;
    }
    if (!Modparms) {
        Modparms = new ModParam;                         // new instance of the modulation parameters
        Modparms->Mods_Edit_Window = new Fl_Window(50, 50, 360, 450, "Edit Modulation Parameters");
        Modparms->Mods_Edit_Window->callback((Fl_Callback*)Edit_Modparms_Close_cb);
        y = 30;
	Modparms->Mod_average = new Fl_Check_Button( 70, y, 225, 25, "Display average structure only");
        if (drvui->modulated == -1) Modparms->Mod_average->set();
        Modparms->Mod_average->callback((Fl_Callback*) Edit_Modparms_Change_cb);
        y += 35;
        Modparms->Mod_t0 = new Flu_Spinner(220, y, 100, 25, "Phase shift t (1st direction)");
        Modparms->Mod_t0->value(drvui->phaseshift[0]);
        Modparms->Mod_t0->callback((Fl_Callback*) Edit_Modparms_Change_cb);
        y += 35;
        Modparms->Mod_t1 = new Flu_Spinner(220, y, 100, 25, "Phase shift t (2nd direction)");
        Modparms->Mod_t1->value(drvui->phaseshift[1]);
        Modparms->Mod_t1->callback((Fl_Callback*) Edit_Modparms_Change_cb);
        y += 35;
        Modparms->Mod_t2 = new Flu_Spinner(220, y, 100, 25, "Phase shift t (3rd direction)");
        Modparms->Mod_t2->value(drvui->phaseshift[2]);
        Modparms->Mod_t2->callback((Fl_Callback*) Edit_Modparms_Change_cb);

        if (Modparms->Mod_average->value() != 0) {
          Modparms->Mod_t0->deactivate();
          Modparms->Mod_t1->deactivate();
          Modparms->Mod_t2->deactivate();
        }
        if (drvui->no_cell_vec < 2)
          Modparms->Mod_t1->deactivate();
        if (drvui->no_cell_vec < 3)
          Modparms->Mod_t2->deactivate();
        y += 65;

        Modparms->Occ_Edit = new Fl_Text_Editor( 25, y, 310, 80,
                "Atom     Occupancy     Minimum");
        Modparms->Occ_Buffer = new Fl_Text_Buffer;
        for (i=0;i<natom;i++) {
          if (drvui->atoms[i].min_occ > 0.) {
            sprintf(buffer,"%4s%2d %15.3f %15.3f\n",drvui->atoms[i].atom_l,
                    drvui->atoms[i].sv_atom_n, drvui->atoms[i].occupancy,
                    drvui->atoms[i].min_occ);
            Modparms->Occ_Buffer->append(buffer);
          }
        }
        Modparms->Occ_Buffer->add_modify_callback((Fl_Text_Modify_Cb)Modify_Occ_cb,(void*)NULL);
        y += 85 ;
        Modparms->Occ_Instr = new Fl_Output(0, y, 400,0,"Press 'Add' to replace "
            "line - 'Remove' to delete");
        Modparms->Occ_Instr->hide();
        Modparms->Occ_Instr->align(FL_ALIGN_BOTTOM);
        Modparms->Occ_Instr1 = new Fl_Output( 0, y, 400,0,
            "Highlight or double-click text above to edit");
        Modparms->Occ_Instr1->hide();
        Modparms->Occ_Instr1->align(FL_ALIGN_BOTTOM);
        Modparms->Occ_Edit->textfont(FL_COURIER);
        Modparms->Occ_Edit->textsize(12);
        Modparms->Occ_Edit->buffer(Modparms->Occ_Buffer);
        Modparms->Occ_Edit->labelfont(FL_COURIER_BOLD);
        y += 40;
        Flu_Combo_List * o = Modparms->Occ_Combo = new Flu_Combo_List(35, y,100,25,"Atom");
        o->align(FL_ALIGN_TOP);
        o->callback(Occ_Combo_cb);
        o->labelfont(1);
        for (i=0;i<natom;i++)
          if (drvui->atoms[i].occ_ismod != 0) {
            memset(string,0,10);
            sprintf(string,"%4s%2d",drvui->atoms[i].atom_l, drvui->atoms[i].sv_atom_n);
            Modparms->Occ_Combo->list.add(string);
          }
        Fl_Input * oa = Modparms->New_Occ_Avg = new Fl_Input(155, y,60,25,"Avg. occ.");
        oa->align(FL_ALIGN_TOP);
        oa->callback((Fl_Callback*)New_Occ_Input_cb);
        oa->labelfont(1);
        Fl_Input * om = Modparms->New_Occ_Min = new Fl_Input(235, y,60,25,"Min. occ.");
        om->align(FL_ALIGN_TOP);
        om->callback((Fl_Callback*)New_Occ_Input_cb);
        om->labelfont(1);
        y += 30;
        Fl_Button * oba = Modparms->New_Occ_Add = new Fl_Button( 105, y, 70, 25, "Add");
        oba->callback((Fl_Callback*)New_Occ_Add_cb,&one);
        oba->tooltip("When active, press to transfer data in boxes to window above");
        oba->deactivate();
        Fl_Button * obr = Modparms->New_Occ_Remove = new Fl_Button( 195, y, 70, 25, "Remove");
        obr->callback((Fl_Callback*)New_Occ_Add_cb,&zero);
        obr->tooltip("When active, press to remove highlighted line.");
        obr->deactivate();

        y +=45;
        Fl_Button * r = new Fl_Button(50, y, 70, 25, "Close");
        r->tooltip("Close this window and discard all changes.");
        r->callback((Fl_Callback*)Edit_Modparms_Close_cb);
        Fl_Button * a = new Fl_Button(150, y, 70, 25, "Apply");
        a->tooltip("Apply current settings to drawing, but leave this window open.");
        a->callback((Fl_Callback*)Edit_Modparms_Save_cb,&zero);
        Fl_Button * s = new Fl_Button(250, y, 70, 25, "Save");
        s->tooltip("Apply current settings to drawing, then close this window.");
        s->callback((Fl_Callback*)Edit_Modparms_Save_cb,&one);

#if !defined (WIN32) && !defined (__APPLE__)
        Modparms->Mods_Edit_Window->icon((char *)drvui->icon);
#endif

        Modparms->Mods_Edit_Window->end();
     }
     Modparms->saved_avg=drvui->modulated;
     for (i=0;i<3;i++) 
       Modparms->saved_t[i]=drvui->phaseshift[i];
     Modparms->Mods_Edit_Window->show();
}

void Modify_Occ_cb(Fl_Widget*, void*)
{
    char atom[10], value[8], string[40];
    float avg,min;
    int start, end, n;
    const char * selection;

    if (!Modparms->Occ_Buffer->selected()) {
        Modparms->Occ_Combo->value("");
        Modparms->New_Occ_Avg->value("");
        Modparms->New_Occ_Min->value("");
        Modparms->New_Occ_Add->deactivate();
        return;
    }
    memset(atom,0,10);
    Modparms->Occ_Buffer->selection_position(&start,&end);
    selection = Modparms->Occ_Buffer->line_text(start);
    Modparms->Occ_Instr1->hide();
    Modparms->Occ_Instr->show();
    if (strlen(selection)==0) return; // user clicked on empty line by mistake
    sscanf(selection,"%s %s %f %f",atom,string,&avg,&min);
    while (strlen(atom) < 4)
        strcat(atom," ");
    free((char *)selection);
    if (strstr(string,"*"))
        n = -1;
    else
        (void)sscanf(string,"%d",&n);
    if (strlen(atom)&& isalpha(atom[0])){
        strcpy(string,atom);
        if (n < 0)
            strcpy(value," *");
        else
            sprintf(value,"%2d",n);
        strcat(string,value);
        Modparms->Occ_Combo->value(string);
        sprintf(value,"%2.3f",avg);
        Modparms->New_Occ_Avg->value(value);
        sprintf(value,"%2.3f",min);
        Modparms->New_Occ_Min->value(value);
        Modparms->New_Occ_Add->activate();
        Modparms->New_Occ_Remove->activate();

        New_Occ_Input_cb(NULL,NULL);
     }
    return;
}
void Occ_Combo_cb(Fl_Widget*, void*)
{
    Modparms->New_Occ_Avg->value("1.0");
    Modparms->New_Occ_Add->activate();
}
void New_Occ_Input_cb(Fl_Widget*, void*)
{
    int n;
    char atom[5], number[5];

// callback routine to make 'Add' new occupancy limit button active whenever all 
//  required fields are non-blank
    if (atof(Modparms->New_Occ_Min->value()) == 0.0) return;
    Modparms->New_Occ_Add->activate();
    (void)sscanf(Modparms->Occ_Combo->value(),"%s %s",atom,number);
    if (strstr(number,"*")) {
        n = -1;
    } else {
        (void)sscanf(number,"%d",&n);
    }
    while (strlen(atom)<4) strcat(atom," ");
}

void New_Occ_Add_cb(Fl_Widget*, int*action)
{
    char string[100];
    int start, end;
    float avg,min;
    char atom1[10];
    char * selection = NULL;

    avg = (float)atof(Modparms->New_Occ_Avg->value());
    min = (float)atof(Modparms->New_Occ_Min->value());

//    Modparms->OccInstr2->show();

    strcpy(atom1,Modparms->Occ_Combo->value());
    if (Modparms->Occ_Buffer->selected()) {
        Modparms->Occ_Buffer->selection_position(&start,&end);
        selection = Modparms->Occ_Buffer->line_text(start);
        if (*action !=1 )
          Modparms->Occ_Buffer->remove(Modparms->Occ_Buffer->line_start(start),
            Modparms->Occ_Buffer->line_end(end)+1);
    }
    if (* action == 1) {
        sprintf(string,"%6s %15.3f %15.3f\n",atom1,avg,min);
        if (selection)
          Modparms->Occ_Buffer->replace(Modparms->Occ_Buffer->line_start(start),
            Modparms->Occ_Buffer->line_end(end)+1,string);
        else
          Modparms->Occ_Buffer->append(string);
    }
    free ((char *)selection);
    Modparms->New_Occ_Avg->value("");
    Modparms->New_Occ_Min->value("");
    Modparms->Occ_Combo->value("");
    Modparms->New_Occ_Add->deactivate();
    Modparms->New_Occ_Remove->deactivate();
    Modparms->Occ_Instr->hide();
    Modparms->Occ_Instr1->show();
}