// ****************************************************************************
void MolDraw2D::drawMolecule(const ROMol &mol,
const vector<int> *highlight_atoms,
const map<int, DrawColour> *highlight_atom_map,
const std::map<int, double> *highlight_radii,
int confId) {
drawMolecule(mol, "", highlight_atoms, highlight_atom_map, highlight_radii,
confId);
}
void LaboratoryScreen::draw(int width, int height)
{
glRotatef(camera.rotX, 1, 0, 0);
glRotatef(camera.rotY, 0, 1, 0);
glTranslatef(camera.posX, camera.posY, camera.posZ);
skybox->draw();
glEnable(GL_LIGHTING);
glEnable(GL_LIGHT0);
glEnable(GL_LIGHT1);
glEnable(GL_LIGHT2);
glEnable(GL_LIGHT3);
glEnable(GL_COLOR_MATERIAL);
drawMolecule(currentMolecule);
mip.draw(width,height);
}
// ****************************************************************************
void MolDraw2D::drawMolecule(const ROMol &mol, const std::string &legend,
const vector<int> *highlight_atoms,
const map<int, DrawColour> *highlight_atom_map,
const std::map<int, double> *highlight_radii,
int confId) {
vector<int> highlight_bonds;
if (highlight_atoms) {
for (vector<int>::const_iterator ai = highlight_atoms->begin();
ai != highlight_atoms->end(); ++ai) {
for (vector<int>::const_iterator aj = ai + 1;
aj != highlight_atoms->end(); ++aj) {
const Bond *bnd = mol.getBondBetweenAtoms(*ai, *aj);
if (bnd) highlight_bonds.push_back(bnd->getIdx());
}
}
}
drawMolecule(mol, legend, highlight_atoms, &highlight_bonds,
highlight_atom_map, NULL, highlight_radii, confId);
}
