#include <haatgroup.h>
Public Member Functions | |
| HaChain (HaMolecule *new_phost_mol, const char new_ident=' ') | |
| bool | SetParamFrom (const HaChain &chain_ref) |
| copy parameters from reference a reference chain | |
| HaResidue * | AddResidue (const int res_ser_no) |
| Add residue to the chain with the serial number. | |
| int | GetUniqResSerNo (const int term_res_flag=0) const |
| Get residue id number not yet in the chain. | |
| bool | SetUniqueResNo () |
| Set unique id(serial) numbers to the residues in the chain. | |
| HaResidue * | GetFirstRes () |
| Get First Residue in the chain. | |
| HaResidue * | GetNextRes () |
| Get Next Residue in the chain. | |
| HaResidue * | GetResBySerNo (const int res_ser_no) |
| Get the residue by its serial number. | |
| int | GetNRes () const |
| Get the number of residues in the chain. | |
| HaBond * | AddBackB (HaAtom *src, HaAtom *dst, int flag) |
| add backbone segment | |
| HaBond * | GetFirstBackB () |
| Get the first bond of the backbone. | |
| HaBond * | GetNextBackB () |
| Get the next bond of the backbone. | |
| bool | operator== (const HaChain &rhs) const |
| bool | operator< (const HaChain &rhs) const |
| HaMolecule * | GetHostMol () |
| Get the molecule chain belongs to. | |
| const HaMolecule * | GetHostMol () const |
| Get the molecule chain belongs to (const version). | |
| void | SetMolHost (HaMolecule *new_phost_mol) |
Public Attributes | |
| char | ident |
| Chain identifier. | |
| set< HaResidue, less< HaResidue > > | Residues |
| Residue List. | |
| list< HaBond > | BackBoneList |
| BackBone bonds list. | |
Protected Member Functions | |
| void | SetDefaultParam () |
Protected Attributes | |
| HaMolecule * | phost_mol |
| The Molecule chain belongs to. | |
|
set< HaResidue, less< HaResidue > >::iterator | CurResItr |
| list< HaBond >::iterator | CurBackBoneItr |
1.3.6