sValist Struct Reference
[Valist class]

Container class for list of atom objects. More...

#include <valist.h>

Collaboration diagram for sValist:

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Data Fields
int	number
double	center [3]
double	mincrd [3]
double	maxcrd [3]
double	maxrad
double	charge
Vatom *	atoms
Vmem *	vmem

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Detailed Description

Container class for list of atom objects.

Author:

Nathan Baker

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Field Documentation

Vatom* sValist::atoms

Atom list

Referenced by Valist_ctor2(), Valist_dtor2(), Valist_getAtom(), Valist_getAtomList(), and Valist_getStatistics().

double sValist::center[3]

Molecule center (xmin - xmax)/2, etc.

Referenced by NOsh_setupElecCalc(), Valist_getCenterX(), Valist_getCenterY(), Valist_getCenterZ(), Valist_getStatistics(), and Vpbe_ctor2().

double sValist::charge

Net charge

Referenced by Valist_getStatistics().

double sValist::maxcrd[3]

Maximum coordinates

Referenced by Valist_getStatistics().

double sValist::maxrad

Maximum radius

Referenced by Valist_getStatistics().

double sValist::mincrd[3]

Minimum coordinates

Referenced by Valist_getStatistics().

int sValist::number

Number of atoms in list

Referenced by Valist_ctor2(), Valist_dtor2(), Valist_getAtom(), Valist_getNumberAtoms(), Valist_getStatistics(), Valist_readPDB(), Valist_readPQR(), and Valist_readXML().

Vmem* sValist::vmem

Memory management object

Referenced by Valist_ctor2(), Valist_dtor2(), Valist_memChk(), Valist_readPDB(), Valist_readPQR(), and Valist_readXML().

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The documentation for this struct was generated from the following file:

• valist.h