Container class for list of atom objects. More...
Data Structures | |
| struct | sValist |
| Container class for list of atom objects. More... | |
Files | |
| file | valist.h |
Contains declarations for class Valist. | |
Typedefs | |
| typedef struct sValist | Valist |
| Declaration of the Valist class as the Valist structure. | |
Functions | |
| VEXTERNC Vatom * | Valist_getAtomList (Valist *thee) |
| Get actual array of atom objects from the list. | |
| VEXTERNC double | Valist_getCenterX (Valist *thee) |
| Get x-coordinate of molecule center. | |
| VEXTERNC double | Valist_getCenterY (Valist *thee) |
| Get y-coordinate of molecule center. | |
| VEXTERNC double | Valist_getCenterZ (Valist *thee) |
| Get z-coordinate of molecule center. | |
| VEXTERNC int | Valist_getNumberAtoms (Valist *thee) |
| Get number of atoms in the list. | |
| VEXTERNC Vatom * | Valist_getAtom (Valist *thee, int i) |
| Get pointer to particular atom in list. | |
| VEXTERNC unsigned long int | Valist_memChk (Valist *thee) |
| Get total memory allocated for this object and its members. | |
| VEXTERNC Valist * | Valist_ctor () |
| Construct the atom list object. | |
| VEXTERNC Vrc_Codes | Valist_ctor2 (Valist *thee) |
| FORTRAN stub to construct the atom list object. | |
| VEXTERNC void | Valist_dtor (Valist **thee) |
| Destroys atom list object. | |
| VEXTERNC void | Valist_dtor2 (Valist *thee) |
| FORTRAN stub to destroy atom list object. | |
| VEXTERNC Vrc_Codes | Valist_readPQR (Valist *thee, Vparam *param, Vio *sock) |
| Fill atom list with information from a PQR file. | |
| VEXTERNC Vrc_Codes | Valist_readPDB (Valist *thee, Vparam *param, Vio *sock) |
| Fill atom list with information from a PDB file. | |
| VEXTERNC Vrc_Codes | Valist_readXML (Valist *thee, Vparam *param, Vio *sock) |
| Fill atom list with information from an XML file. | |
| VEXTERNC Vrc_Codes | Valist_getStatistics (Valist *thee) |
| Load up Valist with various statistics. | |
Container class for list of atom objects.
| VEXTERNC Valist* Valist_ctor | ( | ) |
| VEXTERNC Vrc_Codes Valist_ctor2 | ( | Valist * | thee ) |
| VEXTERNC void Valist_dtor | ( | Valist ** | thee ) |
| VEXTERNC void Valist_dtor2 | ( | Valist * | thee ) |
| VEXTERNC double Valist_getCenterX | ( | Valist * | thee ) |
| VEXTERNC double Valist_getCenterY | ( | Valist * | thee ) |
| VEXTERNC double Valist_getCenterZ | ( | Valist * | thee ) |
| VEXTERNC int Valist_getNumberAtoms | ( | Valist * | thee ) |
| VEXTERNC Vrc_Codes Valist_getStatistics | ( | Valist * | thee ) |
| VEXTERNC unsigned long int Valist_memChk | ( | Valist * | thee ) |
Fill atom list with information from a PDB file.
| thee | Atom list object |
| param | A pre-initialized parameter object |
| sock | Socket read for reading PDB file |
Definition at line 508 of file valist.c.

Fill atom list with information from a PQR file.
| thee | Atom list object |
| param | A pre-initialized parameter object |
| sock | Socket reading for reading PQR file |
Definition at line 599 of file valist.c.

Fill atom list with information from an XML file.
| thee | Atom list object |
| param | A pre-initialized parameter object |
| sock | Socket reading for reading PQR file |
Definition at line 707 of file valist.c.

1.7.2