"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "contrib/uiuc/plugins/molfile_plugin/src/vaspposcarplugin.c" between
pymol-v1.8.6.0.tar.bz2 and pymol-v2.1.0.tar.bz2

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

vaspposcarplugin.c  (pymol-v1.8.6.0.tar.bz2)	:	vaspposcarplugin.c  (pymol-v2.1.0.tar.bz2)
skipping to change at line 77		skipping to change at line 77
/* Read title line */		/* Read title line */
fgets(lineptr, LINESIZE, data->file);		fgets(lineptr, LINESIZE, data->file);
data->titleline = strdup(lineptr);		data->titleline = strdup(lineptr);
/* Ignore rest of header up to the line with atom numbers */		/* Ignore rest of header up to the line with atom numbers */
for (i = 0; i < 5; ++i) fgets(lineptr, LINESIZE, data->file);		for (i = 0; i < 5; ++i) fgets(lineptr, LINESIZE, data->file);
/* Read the number of atoms per atom type */		/* Read the number of atoms per atom type */
data->numatoms = 0;		data->numatoms = 0;
for (i = 0; i < MAXATOMTYPES; ++i) {		for (i = 0; i < MAXATOMTYPES; ++i) {
char const *tmplineptr = strdup(lineptr);		char const *tmplineptr = lineptr;
char const *token = (i == 0 ? strtok(lineptr, " ") : strtok(NULL, " "));		char const *token = (i == 0 ? strtok(lineptr, " ") : strtok(NULL, " "));
int const n = (token ? atoi(token) : -1);		int const n = (token ? atoi(token) : -1);
/* if fails to read number of atoms, then assume VASP5 */		/* if fails to read number of atoms, then assume VASP5 */
if (i == 0 && n <= 0) {		if (i == 0 && n <= 0) {
data->version = 5;		data->version = 5;
		free(data->titleline);
data->titleline = strdup(tmplineptr);		data->titleline = strdup(tmplineptr);
fgets(lineptr, LINESIZE, data->file);		fgets(lineptr, LINESIZE, data->file);
break;		break;
}else if (n <= 0) break;		}else if (n <= 0) break;
data->eachatom[i] = n;		data->eachatom[i] = n;
data->numatoms += n;		data->numatoms += n;
}		}
if (data->version == 5) {		if (data->version == 5) {
End of changes. 2 change blocks.
1 lines changed or deleted		2 lines changed or added

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