APOLparm class

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


Data Structures

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

Files

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

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

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


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

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

Define force calculation enumeration.

Enumerator:
ACD_NO  Do not perform calculation
ACD_YES  Perform calculations
ACD_ERROR  Error setting up calculation


Function Documentation

Vrc_Codes APOLparm_check ( APOLparm thee  ) 

Consistency check for parameter values stored in object.

Author:
David Gohara, Yong Huang
Parameters:
thee APOLparm object
Returns:
Success enumeration

References sAPOLparm::parsed, sAPOLparm::setbconc, sAPOLparm::setdpos, sAPOLparm::setgamma, sAPOLparm::setgrid, sAPOLparm::setmolid, sAPOLparm::setpress, sAPOLparm::setsdens, sAPOLparm::setsrad, sAPOLparm::setsrfm, sAPOLparm::setswin, sAPOLparm::settemp, VRC_FAILURE, and VRC_SUCCESS.

void APOLparm_copy ( APOLparm thee,
APOLparm source 
)

APOLparm* APOLparm_ctor (  ) 

Construct APOLparm.

Author:
David Gohara
Returns:
Newly allocated and initialized Vpmgp object

References APOLparm_ctor2(), and VRC_SUCCESS.

Referenced by NOsh_calc_ctor().

Here is the call graph for this function:

Vrc_Codes APOLparm_ctor2 ( APOLparm thee  ) 

void APOLparm_dtor ( APOLparm **  thee  ) 

Object destructor.

Author:
David Gohara
Parameters:
thee Pointer to memory location of APOLparm object

References APOLparm_dtor2().

Referenced by NOsh_calc_dtor().

Here is the call graph for this function:

void APOLparm_dtor2 ( APOLparm thee  ) 

FORTRAN stub for object destructor.

Author:
David Gohara
Parameters:
thee Pointer to APOLparm object

Referenced by APOLparm_dtor().


Generated on Thu Feb 12 06:23:51 2009 for APBS by  doxygen 1.5.7.1