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

◆ eAPOLparm_calcEnergy

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.

◆ eAPOLparm_calcForce

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.

◆ eAPOLparm_doCalc

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

◆ APOLparm_check()

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.

◆ APOLparm_copy()

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.

◆ APOLparm_ctor()

VEXTERNC APOLparm* APOLparm_ctor ( )

Construct APOLparm.

Author
David Gohara
Returns
Newly allocated and initialized Vpmgp object

Definition at line 65 of file apolparm.c.

◆ APOLparm_ctor2()

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.

◆ APOLparm_dtor()

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.

◆ APOLparm_dtor2()

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.