PseudoAtomMap
Diagram
classDiagram
note for PseudoAtomMap "Maps PseudoAtoms in a simplified _pseudo_mol
to sets of atoms in the original _full_mol"
note for PseudoAtomMap "PseudoAtom : OBAtom#42;"
class PseudoAtomMap {
- OBMol#42; _pseudo_mol
- OBMol#42; _full_mol
- map<PseudoAtom, VirtualMol> _mapping
+ PseudoAtomMap(OBMol#42; pseudo=NULL, OBMol#42; orig=NULL) PseudoAtomMap
+ ToCombinedMol(bool export_bonds=true, bool copy_bonds=true) OBMol
+ operator[](PseudoAtom i) VirtualMol&
+ RemoveAtom(PseudoAtom atom) void
}