APBS  1.4.1
APOLparm class

Parameter structure for APOL-specific variables from input files. More...

Files

file  apolparm.c
 Class APOLparm methods.
 
file  femparm.h
 Contains declarations for class APOLparm.
 

Data Structures

struct  sAPOLparm
 Parameter structure for APOL-specific variables from input files. More...
 

Typedefs

typedef enum eAPOLparm_calcEnergy APOLparm_calcEnergy
 Define eAPOLparm_calcEnergy enumeration as APOLparm_calcEnergy.
 
typedef enum eAPOLparm_calcForce APOLparm_calcForce
 Define eAPOLparm_calcForce enumeration as APOLparm_calcForce.
 
typedef enum eAPOLparm_doCalc APOLparm_doCalc
 Define eAPOLparm_calcForce enumeration as APOLparm_calcForce.
 
typedef struct sAPOLparm APOLparm
 Declaration of the APOLparm class as the APOLparm structure.
 

Enumerations

enum  eAPOLparm_calcEnergy { ACE_NO =0, ACE_TOTAL =1, ACE_COMPS =2 }
 Define energy calculation enumeration. More...
 
enum  eAPOLparm_calcForce { ACF_NO =0, ACF_TOTAL =1, ACF_COMPS =2 }
 Define force calculation enumeration. More...
 
enum  eAPOLparm_doCalc { ACD_NO =0, ACD_YES =1, ACD_ERROR =2 }
 Define force calculation enumeration. More...
 

Functions

VEXTERNC APOLparmAPOLparm_ctor ()
 Construct APOLparm. More...
 
VEXTERNC Vrc_Codes APOLparm_ctor2 (APOLparm *thee)
 FORTRAN stub to construct APOLparm. More...
 
VEXTERNC void APOLparm_dtor (APOLparm **thee)
 Object destructor. More...
 
VEXTERNC void APOLparm_dtor2 (APOLparm *thee)
 FORTRAN stub for object destructor. More...
 
VEXTERNC Vrc_Codes APOLparm_check (APOLparm *thee)
 Consistency check for parameter values stored in object. More...
 
VEXTERNC void APOLparm_copy (APOLparm *thee, APOLparm *source)
 Copy target object into thee. More...
 

Detailed Description

Parameter structure for APOL-specific variables from input files.

Enumeration Type Documentation

Define energy calculation enumeration.

Enumerator
ACE_NO 

Do not perform energy calculation

ACE_TOTAL 

Calculate total energy only

ACE_COMPS 

Calculate per-atom energy components

Definition at line 79 of file apolparm.h.

Define force calculation enumeration.

Enumerator
ACF_NO 

Do not perform force calculation

ACF_TOTAL 

Calculate total force only

ACF_COMPS 

Calculate per-atom force components

Definition at line 95 of file apolparm.h.

Define force calculation enumeration.

Enumerator
ACD_NO 

Do not perform calculation

ACD_YES 

Perform calculations

ACD_ERROR 

Error setting up calculation

Definition at line 111 of file apolparm.h.

Function Documentation

VEXTERNC Vrc_Codes APOLparm_check ( APOLparm thee)

Consistency check for parameter values stored in object.

Author
David Gohara, Yong Huang
Parameters
theeAPOLparm object
Returns
Success enumeration

Definition at line 179 of file apolparm.c.

VEXTERNC void APOLparm_copy ( APOLparm thee,
APOLparm source 
)

Copy target object into thee.

Author
Nathan Baker
Parameters
theeDestination object
sourceSource object

Definition at line 108 of file apolparm.c.

VEXTERNC APOLparm* APOLparm_ctor ( )

Construct APOLparm.

Author
David Gohara
Returns
Newly allocated and initialized Vpmgp object

Definition at line 65 of file apolparm.c.

VEXTERNC Vrc_Codes APOLparm_ctor2 ( APOLparm thee)

FORTRAN stub to construct APOLparm.

Author
David Gohara, Yong Huang
Parameters
theePointer to allocated APOLparm object
Returns
Success enumeration

Definition at line 76 of file apolparm.c.

VEXTERNC void APOLparm_dtor ( APOLparm **  thee)

Object destructor.

Author
David Gohara
Parameters
theePointer to memory location of APOLparm object

Definition at line 167 of file apolparm.c.

VEXTERNC void APOLparm_dtor2 ( APOLparm thee)

FORTRAN stub for object destructor.

Author
David Gohara
Parameters
theePointer to APOLparm object

Definition at line 177 of file apolparm.c.