#include <haatgroup.h>
Inheritance diagram for AtomList:
Public Member Functions | |
| AtomList (const AtomList &ref_atset) | |
| AtomList (Expr *expr, HaMolSet *pmset) | |
| virtual AtomIterator * | GetAtomIterator () |
| get atom iterator for a given atom collection | |
| virtual int | GetNAtoms () const |
| Return the number of atoms in the list. | |
| bool | InsertAtom (HaAtom *aptr) |
| Insert Atom into Atom List. | |
| bool | DeleteAtom (HaAtom *aptr) |
| Delete Atom from the Atom List. | |
| int | DelSelAtoms () |
| Delete Selected Atoms from the Atom List, return number of atoms deleted. | |
| void | BuildFrom (Expr *expr, HaMolSet *pmset) |
| Build Atom Set from logical expression. | |
| virtual int | IsMember (const HaAtom *aptr) const |
| Check if the atom is a member of the set. | |
| HaAtom * | GetFirstAtom () |
| HaAtom * | GetNextAtom () |
| const char * | GetID () const |
| Return Group ID. | |
| void | SetID (const HaString &new_id) |
| Set ID of the Atom Set. | |
| virtual PointIterator * | GetPointIterator () |
| create Point Interator and return pointer (should be deleted when done) | |
| virtual int | GetPtNum () |
| Get total of number of points in the collection. | |
Public Attributes | |
| list< HaAtom * >::iterator | CurAtomItr |
| HaString | id |
1.3.6