67#include "maloc/maloc.h"
138#if !defined(VINLINE_VCLIST)
162# define Vclist_memChk(thee) (Vmem_bytes((thee)->vmem))
163# define Vclist_maxRadius(thee) ((thee)->max_radius)
175VEXTERNC Vclist* Vclist_ctor(
176 Valist *alist, /**< Molecule for cell list queries */
enum eVclist_DomainMode Vclist_DomainMode
Declaration of Vclist_DomainMode enumeration type.
VEXTERNC void Vclist_dtor(Vclist **thee)
Destroy object.
eVclist_DomainMode
Atom cell list domain setup mode.
VEXTERNC unsigned long int Vclist_memChk(Vclist *thee)
Get number of bytes in this object and its members.
VEXTERNC VclistCell * Vclist_getCell(Vclist *thee, double position[VAPBS_DIM])
Return cell corresponding to specified position or return VNULL.
VEXTERNC void Vclist_dtor2(Vclist *thee)
FORTRAN stub to destroy object.
VEXTERNC Vrc_Codes VclistCell_ctor2(VclistCell *thee, int natoms)
Construct a cell list object.
VEXTERNC void VclistCell_dtor(VclistCell **thee)
Destroy object.
VEXTERNC Vrc_Codes Vclist_ctor2(Vclist *thee, Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM])
FORTRAN stub to construct the cell list object.
VEXTERNC double Vclist_maxRadius(Vclist *thee)
Get the max probe radius value (in A) the cell list was constructed with.
VEXTERNC void VclistCell_dtor2(VclistCell *thee)
FORTRAN stub to destroy object.
VEXTERNC VclistCell * VclistCell_ctor(int natoms)
Allocate and construct a cell list cell object.
#define VAPBS_DIM
Our dimension.
Container class for list of atom objects.
Contains public data members for Vatom class/module.
double upper_corner[VAPBS_DIM]
double lower_corner[VAPBS_DIM]
Contains declarations for class Valist.
Contains declarations for class Vatom.
Contains generic macro definitions for APBS.
Contains a collection of useful constants and conversion factors.