int GeometryList::add_geometry(const char *geomcatname, const int *molids,
const int *atomids, const int *cells, float k, int toggle) {
// check that geometry category name is valid
int geomcat = geom_list_index(geomcatname);
GeometryMol *g = NULL;
MoleculeList *mlist = app->moleculeList;
if (geomcat == geom_list_index("Atoms"))
g = new GeometryAtom(*molids, *atomids, cells, mlist, app->commandQueue, this);
else if (geomcat == geom_list_index("Bonds"))
g = new GeometryBond((int *)molids, (int *)atomids, cells, mlist, app->commandQueue, this);
else if (geomcat == geom_list_index("Angles"))
g = new GeometryAngle((int *)molids, (int *)atomids, cells, mlist, app->commandQueue, this);
else if (geomcat == geom_list_index("Dihedrals"))
g = new GeometryDihedral((int *)molids, (int *)atomids, cells, mlist, app->commandQueue, this);
else if (geomcat == geom_list_index("Springs"))
g = new GeometrySpring((int *)molids, (int *)atomids, mlist, app->commandQueue, k, this);
else {
msgErr << "Unknown geometry category '" << geomcatname << "'." << sendmsg;
return -1;
}
if(g && g->ok()) {
GeomListPtr glist = geom_list(geomcat);
// if there is already an identical label in the list,
// do not add this one, instead toggle the displayed
// status of the old one and return the index.
for(int i=(glist->num() - 1); i >= 0; i--) {
GeometryMol *g2 = (*glist)[i];
if(!strcmp(g2->unique_name(), g->unique_name())) {
// name matches
if (toggle) {
if (g2->displayed())
g2->off();
else
g2->on();
}
delete g;
return i;
}
}
// spam the console
msgInfo << "Added new " << geomcatname << " label " << g->name();
if (g->has_value())
msgInfo << " = " << g->calculate();
msgInfo << sendmsg;
// add the geometry object
glist->append(g);
// calculate the value for the first time
g->calculate();
// set the color, which also causes the display list to be generated
g->set_color(geomLists.data(geomcat)->curColor);
g->set_text_size(labelsize);
g->set_text_thickness(labelthickness);
// set the pick variables
g->set_pick();
// indicate we were successful; return index of this object
return glist->num() - 1;
}
// if here, something did not work
return -1;
}
