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/* cn3dxprt.c
* ===========================================================================
*
* PUBLIC DOMAIN NOTICE
* National Center for Biotechnology Information (NCBI)
*
* This software/database is a "United States Government Work" under the
* terms of the United States Copyright Act. It was written as part of
* the author's official duties as a United States Government employee and
* thus cannot be copyrighted. This software/database is freely available
* to the public for use. The National Library of Medicine and the U.S.
* Government do not place any restriction on its use or reproduction.
* We would, however, appreciate having the NCBI and the author cited in
* any work or product based on this material
*
* Although all reasonable efforts have been taken to ensure the accuracy
* and reliability of the software and data, the NLM and the U.S.
* Government do not and cannot warrant the performance or results that
* may be obtained by using this software or data. The NLM and the U.S.
* Government disclaim all warranties, express or implied, including
* warranties of performance, merchantability or fitness for any particular
* purpose.
*
* ===========================================================================
*
* File Name: cn3dxprt.c
*
* Author: Christopher Hogue
*
* Version Creation Date: 1/31/96
*
* File Description: Cn3d file export to Kinemage / PDB sub menu...
*
* Modifications:
* --------------------------------------------------------------------------
* $Log: cn3dxprt.c,v $
* Revision 6.9 2000/07/28 21:05:56 lewisg
* more c++ fixes
*
* Revision 6.8 2000/03/24 20:34:58 lewisg
* add blast from file, bug fixes, get rid of redundant code, etc.
*
* Revision 6.7 2000/01/07 16:28:37 thiessen
* fixed broken header conflicts
*
* Revision 6.6 1999/12/17 20:25:00 thiessen
* put in preliminary PNG output (for Cn3D)
*
* Revision 6.5 1999/11/22 14:46:45 thiessen
* moved _OPENGL code blocks to only vibrant and ncbicn3d libraries
*
* Revision 6.4 1999/10/29 14:15:32 thiessen
* ran all Cn3D source through GNU Indent to prettify
*
* Revision 6.3 1999/04/06 20:19:26 lewisg
* more opengl
*
* Revision 6.2 1999/03/12 18:37:30 kans
* fixed ErrPostEx problems
*
* Revision 6.1 1999/02/25 23:14:32 ywang
* move around menu item and callback function, change menu item names
*
* Revision 6.0 1997/08/25 18:13:54 madden
* Revision changed to 6.0
*
* Revision 5.0 1996/05/28 14:05:44 ostell
* Set to revision 5.0
*
* Revision 1.2 1996/04/26 18:43:07 vakatov
* CN3D sources ported to MS-Windows;
* the portability errors and warnings fixed, etc.
*
* Revision 1.1 1996/02/01 18:47:38 kans
* Initial revision
*
*
* ==========================================================================
*/
#include <vibrant.h>
#include <mmdbapi.h>
#include <cn3dxprt.h>
#include <cn3dmsel.h>
#include <cn3dmain.h>
#include <cn3dshim.h>
#if defined(_OPENGL)
#include <shim3d.h>
#endif
static Boolean Cn3D_Export_InUse = FALSE;
static WindoW Cn3D_wPDBSave;
static TexT Cn3D_tPDBSave;
static ButtoN Cn3D_bPDBBrowse;
static ButtoN Cn3D_bPDBOk;
static WindoW Cn3D_wKinSave;
static TexT Cn3D_tKinSave;
static ButtoN Cn3D_bKinBrowse;
static ButtoN Cn3D_bKinOk;
static ButtoN Cn3D_bRender[6];
static GrouP Cn3D_gColorAtoms;
static GrouP Cn3D_gRenderOpts;
static void Cn3D_PDBEnableProc(TexT t)
{
Char str[32];
GetTitle(Cn3D_tPDBSave, str, sizeof(str));
if (StringLen(str) == 0) {
Disable(Cn3D_bPDBOk);
} else {
Enable(Cn3D_bPDBOk);
}
return;
}
static void Cn3D_PDBBrowseProc(ButtoN b)
{
Char dfault[32];
Char path[256];
path[0] = '\0';
dfault[0] = '\0';
if (GetOutputFileName(path, sizeof(path), dfault)) {
SetTitle(Cn3D_tPDBSave, path);
Cn3D_PDBEnableProc(NULL);
}
return;
}
static void Cn3D_ExportPDBNow(ButtoN b)
{
Char path[256];
FILE *pFile;
Int2 iTest;
Int4 iCount = 0;
PDNMS pdnmsMain = NULL;
Int2Ptr i2Vec = NULL;
i2Vec = PickedModels(&iCount);
if (iCount == 0) {
ErrClear();
ErrPostEx(SEV_INFO, 0, 0, "Nothing to save!");
ErrShow();
Disable(Cn3D_bPDBOk);
return;
}
GetTitle(Cn3D_tPDBSave, path, sizeof(path));
pdnmsMain = GetSelectedModelstruc();
#ifdef WIN_MAC
FileCreate(path, "TEXT", "ttxt");
#endif
WatchCursor();
pFile = FileOpen(path, "w");
if (pFile) {
iTest = WritePDBModelList(pdnmsMain, pFile, iCount, i2Vec);
I2VectorFree(i2Vec, 0);
if (!iTest) {
ErrClear();
ErrPostEx(SEV_FATAL, 0, 0,
"Unable to Export\nPossibly Corrupt Data in Memory!\n");
ErrShow();
}
fflush(pFile);
fclose(pFile);
} else {
ErrClear();
ErrPostEx(SEV_INFO, 0, 0, "Sorry, Unable to Open File:\n %s",
path);
ErrShow();
Disable(Cn3D_bPDBOk);
I2VectorFree(i2Vec, 0);
SetTitle(Cn3D_tPDBSave, "\0");
ArrowCursor();
return;
}
Remove(Cn3D_wPDBSave);
Cn3D_EnableFileOps();
Cn3D_Export_InUse = FALSE;
ArrowCursor();
return;
}
static void Cn3D_CancelPDB(ButtoN b)
{
Remove(Cn3D_wPDBSave);
Cn3D_EnableFileOps();
Cn3D_Export_InUse = FALSE;
return;
}
static void Cn3D_ExportPDB(IteM i)
{
PDNMS pdnmsThis = NULL;
PMSD pmsdThis = NULL;
Char pcSavestr[60];
Char pcSavename[32];
CharPtr Cn3D_pcPDBName;
GrouP g, g2, g3, g4;
GrouP gMS;
ButtoN b;
if (Cn3D_Export_InUse)
return;
else
Cn3D_Export_InUse = TRUE;
pdnmsThis = GetSelectedModelstruc();
if (!pdnmsThis) {
Cn3D_Export_InUse = FALSE;
return;
}
pmsdThis = (PMSD) pdnmsThis->data.ptrvalue;
Cn3D_wPDBSave = ModalWindow(-20, -13, -10, -10, NULL);
/* set up a group encolosing structures - models selection lists and - "info strings" */
Cn3D_pcPDBName = StringSave(GetStrucStrings(pdnmsThis, PDB_ACC));
sprintf(pcSavestr, "Save %s As a PDB Formatted File ...",
Cn3D_pcPDBName);
g = HiddenGroup(Cn3D_wPDBSave, 0, 3, NULL);
SetGroupMargins(g, 10, 10);
SetGroupSpacing(g, 10, 5);
StaticPrompt(g, pcSavestr, 0, 0, systemFont, 'l');
g2 = HiddenGroup(g, 2, 0, NULL);
SetGroupMargins(g2, 10, 10);
SetGroupSpacing(g2, 10, 5);
StringNCpy(pcSavename, Cn3D_pcPDBName, 8);
StringCat(pcSavename, ".pdb");
Cn3D_tPDBSave =
DialogText(g2, pcSavename, 18, (TxtActnProc) Cn3D_PDBEnableProc);
MemFree(Cn3D_pcPDBName);
Cn3D_bPDBBrowse =
PushButton(g2, " browse...", (BtnActnProc) Cn3D_PDBBrowseProc);
g3 = HiddenGroup(g, 2, 0, NULL);
gMS = Cn3D_ModelSelect(g3, FALSE); /* no vector models for PDB files saves */
g4 = HiddenGroup(g3, 0, 2, NULL);
SetGroupMargins(g4, 10, 10);
SetGroupSpacing(g4, 10, 5);
Cn3D_bPDBOk = PushButton(g4, "OK", Cn3D_ExportPDBNow);
b = PushButton(g4, "Cancel", Cn3D_CancelPDB);
Cn3D_PDBEnableProc(NULL);
Select(Cn3D_bPDBOk);
/* disable appropriate stuff here */
Cn3D_DisableFileOps();
Show(Cn3D_wPDBSave);
return;
}
static void Cn3D_KinEnableProc(TexT t)
{
Char str[32];
GetTitle(Cn3D_tKinSave, str, sizeof(str));
if (StringLen(str) == 0) {
Disable(Cn3D_bKinOk);
} else {
Enable(Cn3D_bKinOk);
}
return;
}
static void Cn3D_KinBrowseProc(ButtoN b)
{
Char dfault[32];
Char path[256];
path[0] = '\0';
dfault[0] = '\0';
if (GetOutputFileName(path, sizeof(path), dfault)) {
SetTitle(Cn3D_tKinSave, path);
Cn3D_KinEnableProc(NULL);
}
return;
}
static void Cn3D_ExportKinNow(ButtoN b)
{
Char path[256];
FILE *pFile;
Int2 iTest;
Int4 iCount = 0;
PDNMS pdnmsMain = NULL;
Int2 iColor = 0;
Byte bRender = 0;
Int2Ptr i2Vec = NULL;
i2Vec = PickedModels(&iCount);
if (iCount == 0) {
ErrClear();
ErrPostEx(SEV_INFO, 0, 0, "Nothing to save!");
ErrShow();
Disable(Cn3D_bKinOk);
return;
}
GetTitle(Cn3D_tKinSave, path, sizeof(path));
iColor = GetValue(Cn3D_gColorAtoms);
bRender = KIN_DEFAULT;
if (GetStatus(Cn3D_bRender[0]) == TRUE)
bRender = bRender | (Byte) KIN_VIRTUAL;
if (GetStatus(Cn3D_bRender[1]) == TRUE)
bRender = bRender | (Byte) KIN_BACKBONE;
if (GetStatus(Cn3D_bRender[2]) == TRUE)
bRender = bRender | (Byte) KIN_RESIDUE;
if (GetStatus(Cn3D_bRender[3]) == TRUE)
bRender = bRender | (Byte) KIN_HET;
if (GetStatus(Cn3D_bRender[4]) == TRUE)
bRender = bRender | (Byte) KIN_ALTCONF;
if (GetStatus(Cn3D_bRender[5]) == TRUE)
bRender = bRender | (Byte) KIN_MULTANIM;
pdnmsMain = GetSelectedModelstruc();
#ifdef WIN_MAC
FileCreate(path, "TEXT", "ttxt");
#endif
WatchCursor();
pFile = FileOpen(path, "w");
if (pFile) {
iTest = WriteKinModelList(pdnmsMain, pFile, iColor, bRender,
iCount, i2Vec);
I2VectorFree(i2Vec, 0);
if (!iTest) {
ErrClear();
ErrPostEx(SEV_FATAL, 0, 0,
"Unable to Export\nPossibly Corrupt Data in Memory!\n");
ErrShow();
}
fflush(pFile);
fclose(pFile);
} else {
ErrClear();
ErrPostEx(SEV_INFO, 0, 0, "Sorry, Unable to Open File:\n %s",
path);
ErrShow();
Disable(Cn3D_bKinOk);
I2VectorFree(i2Vec, 0);
SetTitle(Cn3D_tKinSave, "\0");
ArrowCursor();
return;
}
Remove(Cn3D_wKinSave);
Cn3D_EnableFileOps();
Cn3D_Export_InUse = FALSE;
ArrowCursor();
return;
}
static void Cn3D_CancelKin(ButtoN b)
{
Remove(Cn3D_wKinSave);
Cn3D_EnableFileOps();
Cn3D_Export_InUse = FALSE;
return;
}
static void Cn3D_ExportKin(IteM i)
{
PDNMS pdnmsThis = NULL;
PMSD pmsdThis = NULL;
Char pcSavestr[60];
Char pcSavename[32];
CharPtr Cn3D_pcKinName;
GrouP g, g2, g3, g4;
GrouP gMS;
ButtoN b;
Int2 iCount;
if (Cn3D_Export_InUse)
return;
else
Cn3D_Export_InUse = TRUE;
pdnmsThis = GetSelectedModelstruc();
if (!pdnmsThis) {
Cn3D_Export_InUse = FALSE;
return;
}
pmsdThis = (PMSD) pdnmsThis->data.ptrvalue;
Cn3D_wKinSave = ModalWindow(-20, -13, -10, -10, NULL);
/* set up a group encolosing structures - models selection lists and - "info strings" */
Cn3D_pcKinName = StringSave(GetStrucStrings(pdnmsThis, PDB_ACC));
sprintf(pcSavestr, "Save %s As a Kinemage Rendered File ...",
Cn3D_pcKinName);
g = HiddenGroup(Cn3D_wKinSave, 0, 5, NULL);
SetGroupMargins(g, 10, 10);
SetGroupSpacing(g, 10, 5);
StaticPrompt(g, pcSavestr, 0, 0, systemFont, 'l');
g2 = HiddenGroup(g, 2, 0, NULL);
SetGroupMargins(g2, 10, 10);
SetGroupSpacing(g2, 10, 5);
StringNCpy(pcSavename, Cn3D_pcKinName, 8);
StringCat(pcSavename, ".kin");
Cn3D_tKinSave =
DialogText(g2, pcSavename, 18, (TxtActnProc) Cn3D_KinEnableProc);
MemFree(Cn3D_pcKinName);
Cn3D_bKinBrowse =
PushButton(g2, " browse...", (BtnActnProc) Cn3D_KinBrowseProc);
g3 = HiddenGroup(g, 2, 0, NULL);
gMS = Cn3D_ModelSelect(g3, FALSE); /* no vector models for Kin files saves */
g4 = HiddenGroup(g3, 0, 2, NULL);
SetGroupMargins(g4, 10, 10);
SetGroupSpacing(g4, 10, 5);
Cn3D_bKinOk = PushButton(g4, "OK", Cn3D_ExportKinNow);
b = PushButton(g4, "Cancel", Cn3D_CancelKin);
Cn3D_gColorAtoms =
NormalGroup(g, 2, 2, " color by...", systemFont, NULL);
SetGroupMargins(Cn3D_gColorAtoms, 10, 10);
SetGroupSpacing(Cn3D_gColorAtoms, 10, 5);
RadioButton(Cn3D_gColorAtoms, "Molecule number");
RadioButton(Cn3D_gColorAtoms, "Secondary Structure & Residue Type");
RadioButton(Cn3D_gColorAtoms, "Thermal Factors");
RadioButton(Cn3D_gColorAtoms, "Element");
SetValue(Cn3D_gColorAtoms, 1);
Cn3D_gRenderOpts =
NormalGroup(g, 2, 3, " viewable subsets...", systemFont, NULL);
Cn3D_bRender[0] = CheckBox(Cn3D_gRenderOpts, "Virtual Backbone", NULL);
Cn3D_bRender[1] = CheckBox(Cn3D_gRenderOpts, "Real Backbone", NULL);
Cn3D_bRender[2] = CheckBox(Cn3D_gRenderOpts, "Residues", NULL);
Cn3D_bRender[3] = CheckBox(Cn3D_gRenderOpts, "Heterogens", NULL);
Cn3D_bRender[4] =
CheckBox(Cn3D_gRenderOpts, "Alternate Conformations", NULL);
Cn3D_bRender[5] = CheckBox(Cn3D_gRenderOpts, "NMR Animations", NULL);
for (iCount = 0; iCount < 6; iCount++)
SetStatus(Cn3D_bRender[iCount], TRUE);
Cn3D_KinEnableProc(NULL);
Select(Cn3D_bKinOk);
/* disable appropriate stuff here */
Cn3D_DisableFileOps();
Show(Cn3D_wKinSave);
return;
}
#ifndef _OPENGL
static void Cn3D_GifSaveProc(IteM i)
{
Char fname[PATH_MAX];
Char defname[32];
PDNMS pdnmsThis = GetSelectedModelstruc();
fname[0] = '\0';
defname[0] = '\0';
if (pdnmsThis == NULL)
StringNCpy_0(defname,
pdnmsThis ? GetStrucStrings(pdnmsThis,
PDB_ACC) : "cn3d",
sizeof(defname) - 4);
StringCat(defname, ".gif");
if (GetOutputFileName(fname, sizeof(fname), defname)) {
SaveImageGIF(Nlm_GetViewerImage3D(Cn3D_v3d), fname);
}
}
#else
#if defined(_PNG)
static void Cn3D_PNGSaveProc(IteM i)
{
Char fname[PATH_MAX];
Char defname[32];
PDNMS pdnmsThis = GetSelectedModelstruc();
fname[0] = '\0';
defname[0] = '\0';
if (pdnmsThis == NULL)
StringNCpy_0(defname,
pdnmsThis ? GetStrucStrings(pdnmsThis,
PDB_ACC) : "cn3d",
sizeof(defname) - 4);
StringCat(defname, ".png");
if (GetOutputFileName(fname, sizeof(fname), defname)) {
Nlm_SaveImagePNG(fname);
}
}
#endif /* _PNG */
TOGL_Data * Cn3D_GetCurrentOGLData(void)
{
return Cn3D_ColorData.OGL_Data;
}
#endif /* _OPENGL */
MenU LIBCALL Cn3D_ExportSub(MenU m)
{
IteM i;
MenU s;
s = SubMenu(m, "Export");
i = CommandItem(s, "PDB File...", Cn3D_ExportPDB);
i = CommandItem(s, "Kinemage File...", Cn3D_ExportKin);
#ifndef _OPENGL
i = CommandItem(s, "GIF.../S", Cn3D_GifSaveProc);
#endif
#if defined(_OPENGL) && defined(_PNG)
i = CommandItem(s, "PNG...", Cn3D_PNGSaveProc);
#endif
return s;
}
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