APBS 3.0.0
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sPBSAMparm Struct Reference

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

#include </builddir/build/BUILD/apbs-3.0.0-build/apbs-3.0.0/src/generic/pbsamparm.h>

Data Fields

PBSAMparm_CalcType type
 
int parsed
 
int settolsp
 
double tolsp
 
int setmsms
 
double probe_radius
 
double density
 
int setsurf
 
int surfct
 
char surffil [PBSAMPARM_MAXMOL][CHR_MAXLEN]
 
int setimat
 
int imatct
 
char imatfil [PBSAMPARM_MAXMOL][CHR_MAXLEN]
 
int setexp
 
int expct
 
char expfil [PBSAMPARM_MAXMOL][CHR_MAXLEN]
 

Detailed Description

Parameter structure for PBSAM-specific variables from input files.

Author
Lisa Felberg
Note
If you add/delete/change something in this class, the member functions – especially PBSAMparm_copy – must be modified accordingly

Definition at line 105 of file pbsamparm.h.

Field Documentation

◆ density

double density

Definition at line 117 of file pbsamparm.h.

◆ expct

int expct

Definition at line 128 of file pbsamparm.h.

◆ expfil

char expfil[PBSAMPARM_MAXMOL][CHR_MAXLEN]

Definition at line 129 of file pbsamparm.h.

◆ imatct

int imatct

Definition at line 124 of file pbsamparm.h.

◆ imatfil

char imatfil[PBSAMPARM_MAXMOL][CHR_MAXLEN]

Definition at line 125 of file pbsamparm.h.

◆ parsed

int parsed

Has this structure been filled? (0 = no, 1 = yes)

Definition at line 108 of file pbsamparm.h.

◆ probe_radius

double probe_radius

Definition at line 116 of file pbsamparm.h.

◆ setexp

int setexp

Definition at line 127 of file pbsamparm.h.

◆ setimat

int setimat

Definition at line 123 of file pbsamparm.h.

◆ setmsms

int setmsms

Definition at line 115 of file pbsamparm.h.

◆ setsurf

int setsurf

Definition at line 119 of file pbsamparm.h.

◆ settolsp

int settolsp

Definition at line 112 of file pbsamparm.h.

◆ surfct

int surfct

Definition at line 120 of file pbsamparm.h.

◆ surffil

char surffil[PBSAMPARM_MAXMOL][CHR_MAXLEN]

Definition at line 121 of file pbsamparm.h.

◆ tolsp

double tolsp

Definition at line 113 of file pbsamparm.h.

◆ type

What type of PBSAM calculation?

Definition at line 107 of file pbsamparm.h.


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