APBS
1.5
|
Class for parsing fixed format input files. More...
#include </builddir/build/BUILD/apbs-pdb2pqr-apbs-1.5/apbs/src/generic/nosh.h>
Valist* alist[NOSH_MAXMOL] |
NOsh_calc* apol[NOSH_MAXCALC] |
The array of calculation objects corresponding to APOLAR statements read in the input file. Compare to sNOsh::calc
int apol2calc[NOSH_MAXCALC] |
char apolname[NOSH_MAXCALC][VMAX_ARGLEN] |
int bogus |
NOsh_calc* calc[NOSH_MAXCALC] |
The array of calculation objects corresponding to actual calculations performed by the code. Compare to sNOsh::elec
Vdata_Format chargefmt[NOSH_MAXMOL] |
char chargepath[NOSH_MAXMOL][VMAX_ARGLEN] |
Vdata_Format dielfmt[NOSH_MAXMOL] |
char dielXpath[NOSH_MAXMOL][VMAX_ARGLEN] |
char dielYpath[NOSH_MAXMOL][VMAX_ARGLEN] |
char dielZpath[NOSH_MAXMOL][VMAX_ARGLEN] |
NOsh_calc* elec[NOSH_MAXCALC] |
The array of calculation objects corresponding to ELEC statements read in the input file. Compare to sNOsh::calc
int elec2calc[NOSH_MAXCALC] |
A mapping between ELEC statements which appear in the input file and calc objects stored above. Since we allow both normal and focused multigrid, there isn't a 1-to-1 correspondence between ELEC statements and actual calcualtions. This can really confuse operations which work on specific calculations further down the road (like PRINT). Therefore this array is the initial point of entry for any calculation-specific operation. It points to a specific entry in the calc array.
char elecname[NOSH_MAXCALC][VMAX_ARGLEN] |
Vdata_Format kappafmt[NOSH_MAXMOL] |
char kappapath[NOSH_MAXMOL][VMAX_ARGLEN] |
Vdata_Format meshfmt[NOSH_MAXMOL] |
char meshpath[NOSH_MAXMOL][VMAX_ARGLEN] |
NOsh_MolFormat molfmt[NOSH_MAXMOL] |
char molpath[NOSH_MAXMOL][VMAX_ARGLEN] |
int napol |
int nelec |
NOsh_ParmFormat parmfmt |
Vdata_Format potfmt[NOSH_MAXMOL] |
char potpath[NOSH_MAXMOL][VMAX_ARGLEN] |
int printcalc[NOSH_MAXPRINT][NOSH_MAXPOP] |
int printnarg[NOSH_MAXPRINT] |
int printop[NOSH_MAXPRINT][NOSH_MAXPOP] |
NOsh_PrintType printwhat[NOSH_MAXPRINT] |