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/* Copyright (C) 2000-2002 Damir Zucic */
/*=============================================================================
atoms.c
Purpose:
Execute atoms command: change the atom drawing style for selected
atoms.
Input:
(1) Pointer to MolComplexS structure, with macromol. complexes.
(2) The number of macromolecular complexes.
(3) Pointer to RuntimeS structure, with some runtime data.
(4) Pointer to ConfigS structure, with configuration data.
(5) Pointer to GUIS structure, with GUI data.
(6) Pointer to NearestAtomS structure.
(7) The number of pixels in the main window free area.
(8) Pointer to refreshI.
(9) String which contains the atom drawing style name.
Output:
(1) Drawing style for atoms changed.
(2) Return value.
Return value:
(1) Positive (command) code on success.
(2) Negative (error) code on failure.
========includes:============================================================*/
#include <stdio.h>
#include <string.h>
#include <X11/Xlib.h>
#include <X11/Xutil.h>
#include <X11/Xos.h>
#include <X11/Xatom.h>
#include "defines.h"
#include "commands.h"
#include "typedefs.h"
/*======function prototypes:=================================================*/
char *ExtractToken_ (char *, int, char *, char *);
size_t MainRefresh_ (MolComplexS *, int,
RuntimeS *, ConfigS *, GUIS *,
NearestAtomS *, size_t, unsigned int);
int ControlRefresh_ (MolComplexS *, ConfigS *, GUIS *);
/*======execute atoms command:===============================================*/
int Atoms_ (MolComplexS *mol_complexSP, int mol_complexesN,
RuntimeS *runtimeSP,
ConfigS *configSP, GUIS *guiSP,
NearestAtomS *nearest_atomSP, size_t pixelsN,
unsigned int *refreshIP, char *stringP)
{
char *remainderP;
char tokenA[SHORTSTRINGSIZE];
int atom_styleI;
int mol_complexI;
MolComplexS *curr_mol_complexSP;
size_t atomsN, atomI;
AtomS *curr_atomSP;
/* Extract the atom style name: */
remainderP = ExtractToken_ (tokenA, SHORTSTRINGSIZE, stringP, " \t\n");
if (!remainderP)
{
strcpy (runtimeSP->messageA,
"Atom drawing style specification missing!");
runtimeSP->message_length = strlen (runtimeSP->messageA);
return ERROR_NO_ATOM_STYLE;
}
/* Try to recognize the requested style: */
if (strcmp (tokenA, "0") == 0) atom_styleI = 0;
else if (strcmp (tokenA, "1") == 0) atom_styleI = 1;
else if (strcmp (tokenA, "2") == 0) atom_styleI = 2;
else if (strcmp (tokenA, "3") == 0) atom_styleI = 3;
else if (strcmp (tokenA, "4") == 0) atom_styleI = 4;
else if (strcmp (tokenA, "5") == 0) atom_styleI = 5;
else if (strcmp (tokenA, "6") == 0) atom_styleI = 6;
else if (strcmp (tokenA, "7") == 0) atom_styleI = 7;
else if (strstr (tokenA, "SPA") == tokenA) atom_styleI = SPACEFILL;
else if (strstr (tokenA, "SP2") == tokenA) atom_styleI = SPACEFILL2;
else if (strstr (tokenA, "COV") == tokenA) atom_styleI = COVALENT;
else if (strstr (tokenA, "CO2") == tokenA) atom_styleI = COVALENT2;
else if (strstr (tokenA, "SMA") == tokenA) atom_styleI = SMALL_ATOM;
else if (strstr (tokenA, "SM2") == tokenA) atom_styleI = SMALL_ATOM2;
else if (strstr (tokenA, "BAL") == tokenA) atom_styleI = BALL;
else if (strstr (tokenA, "BA2") == tokenA) atom_styleI = BALL2;
else if (strstr (tokenA, "BIG") == tokenA) atom_styleI = BIG_SPHERE;
else if (strstr (tokenA, "BI2") == tokenA) atom_styleI = BIG_SPHERE2;
else
{
sprintf (runtimeSP->messageA,
"Atom drawing style \"%s\" not available!", tokenA);
runtimeSP->message_length = strlen (runtimeSP->messageA);
return ERROR_ATOM_STYLE;
}
/* Scan every macromolecular complex: */
for (mol_complexI = 0; mol_complexI < mol_complexesN; mol_complexI++)
{
/** Pointer to the current macromolecular complex: **/
curr_mol_complexSP = mol_complexSP + mol_complexI;
/** Check is the current macromolecular complex caught: **/
if (curr_mol_complexSP->catchF == 0) continue;
/** Number of atoms in a macromolecular complex: **/
atomsN = curr_mol_complexSP->atomsN;
/** Scan all atoms in the current complex: **/
for (atomI = 0; atomI < atomsN; atomI++)
{
/** Pointer to the current atom: **/
curr_atomSP = curr_mol_complexSP->atomSP + atomI;
/** Check is atom selected: **/
if (curr_atomSP->selectedF == 0) continue;
/** Change the atom drawing style: **/
curr_atomSP->raw_atomS.atom_styleI = atom_styleI;
}
/* Reset the position_changedF: */
curr_mol_complexSP->position_changedF = 1;
}
/* Refresh the main window: */
(*refreshIP)++;
MainRefresh_ (mol_complexSP, mol_complexesN, runtimeSP, configSP, guiSP,
nearest_atomSP, pixelsN, *refreshIP);
/* Refresh the control window: */
ControlRefresh_ (mol_complexSP + runtimeSP->default_complexI, configSP, guiSP);
/* Return positive value on success: */
return COMMAND_ATOMS;
}
/*===========================================================================*/
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