void _handleInputFile (const char *path, int structures)
{
if ((strlen(path) > 4 && strcmp(path + strlen(path) - 4, ".sdf") == 0) ||
(strlen(path) > 7 && strcmp(path + strlen(path) - 7, ".sdf.gz") == 0))
{
int item, iter = indigoIterateSDFile(path);
while ((item = indigoNext(iter)))
{
indigoArrayAdd(structures, item);
indigoFree(item);
}
indigoFree(iter);
}
else if ((strlen(path) > 4 && strcmp(path + strlen(path) - 4, ".rdf") == 0) ||
(strlen(path) > 7 && strcmp(path + strlen(path) - 7, ".rdf.gz") == 0))
{
int item, iter = indigoIterateRDFile(path);
while ((item = indigoNext(iter)))
{
indigoArrayAdd(structures, item);
indigoFree(item);
}
indigoFree(iter);
}
else if ((strlen(path) > 4 && strcmp(path + strlen(path) - 4, ".smi") == 0) ||
(strlen(path) > 7 && strcmp(path + strlen(path) - 7, ".smi.gz") == 0))
{
int item, iter = indigoIterateSmilesFile(path);
while ((item = indigoNext(iter)))
{
indigoArrayAdd(structures, item);
indigoFree(item);
}
indigoFree(iter);
}
else if ((strlen(path) > 4 && strcmp(path + strlen(path) - 4, ".cml") == 0))
{
int item, iter = indigoIterateCMLFile(path);
while ((item = indigoNext(iter)))
{
indigoArrayAdd(structures, item);
indigoFree(item);
}
indigoFree(iter);
}
else
{
int item = indigoLoadMoleculeFromFile(path);
indigoArrayAdd(structures, item);
indigoFree(item);
}
}
void renderPair(int s1, int s2, const char* folder, const char* file, int number, const char* title) {
int collection = indigoCreateArray();
indigoArrayAdd(collection, s1);
indigoArrayAdd(collection, s2);
indigoSetOption("render-output-format", "png");
indigoSetOption("render-comment", title);
indigoSetOption("render-comment-position", "top");
indigoSetOptionXY("render-image-size", 800, 1000);
indigoSetOptionColor("render-background-color", 1.0, 1.0, 1.0);
char str[256];
if(number != -1) {
sprintf(str, "./%s/%d%s%s%s", folder, number, "_", file, ".png");
}
else
{
sprintf(str, "%s%s", file, ".png");
}
indigoRenderGridToFile(collection, NULL, 2, str);
indigoFree(collection);
}
