Main Page   Namespace List   Class Hierarchy   Alphabetical List   Compound List   File List   Namespace Members   Compound Members   File Members   Related Pages  

ReadPARM Class Reference

#include <ReadPARM.h>

List of all members.

Public Methods

 ReadPARM ()
 ~ReadPARM (void)
FILE * open_parm_file (const char *name)
void close_parm_file (FILE *fileptr)
char * get (int size)
int preadln (FILE *file, char *string)
int readparm (FILE *file)
void get_parm_atom (int, char *, char *, char *, char *, int *, float *, float *)
void get_parm_bond (int, int fromAtom[], int toAtom[])
void get_hydrogen_bond (int, int fromAtom[], int toAtom[])
int get_parm_natoms ()
int get_parm_nbonds ()
int get_parm_boxInfo ()
int read_fortran_12I6 (FILE *fp, int *data, int count)

Public Attributes

int popn
parmstructprm


Constructor & Destructor Documentation

ReadPARM::ReadPARM   [inline]
 

Definition at line 83 of file ReadPARM.h.

References popn.

ReadPARM::~ReadPARM void    [inline]
 

Definition at line 84 of file ReadPARM.h.


Member Function Documentation

void ReadPARM::close_parm_file FILE *    fileptr
 

Definition at line 213 of file ReadPARM.h.

Referenced by close_parm_read.

char * ReadPARM::get int    size
 

Definition at line 236 of file ReadPARM.h.

Referenced by readparm.

void ReadPARM::get_hydrogen_bond int   ,
int    fromAtom[],
int    toAtom[]
 

Definition at line 934 of file ReadPARM.h.

References parm::BondHAt1, parm::BondHAt2, parm::Nbona, and prm.

Referenced by get_parm_bond.

void ReadPARM::get_parm_atom int   ,
char *   ,
char *   ,
char *   ,
char *   ,
int *   ,
float *   ,
float *   
 

Definition at line 876 of file ReadPARM.h.

References parm::AtomNames, parm::AtomSym, parm::Charges, parm::Ipres, parm::Masses, name, parm::Nres, prm, and parm::ResNames.

Referenced by read_parm_structure.

void ReadPARM::get_parm_bond int   ,
int    fromAtom[],
int    toAtom[]
 

Definition at line 925 of file ReadPARM.h.

References parm::BondAt1, parm::BondAt2, get_hydrogen_bond, parm::Nbona, and prm.

Referenced by read_parm_bonds.

int ReadPARM::get_parm_boxInfo  
 

Definition at line 944 of file ReadPARM.h.

References parm::IfBox, and prm.

Referenced by read_parm_structure.

int ReadPARM::get_parm_natoms  
 

Definition at line 940 of file ReadPARM.h.

References parm::Natom, and prm.

Referenced by open_parm_read.

int ReadPARM::get_parm_nbonds  
 

Definition at line 942 of file ReadPARM.h.

References parm::Nbona, parm::Nbonh, and prm.

Referenced by read_parm_bonds.

FILE * ReadPARM::open_parm_file const char *    name
 

Definition at line 132 of file ReadPARM.h.

References name, and popn.

Referenced by open_parm_read.

int ReadPARM::preadln FILE *    file,
char *    string
 

Definition at line 258 of file ReadPARM.h.

References MOLFILE_ERROR.

Referenced by readparm.

int ReadPARM::read_fortran_12I6 FILE *    fp,
int *    data,
int    count
 

Definition at line 952 of file ReadPARM.h.

References readtoeoln.

Referenced by readparm.

int ReadPARM::readparm FILE *    file
 

Definition at line 287 of file ReadPARM.h.

References _REAL, parm::AngleAt1, parm::AngleAt2, parm::AngleAt3, parm::AngleHAt1, parm::AngleHAt2, parm::AngleHAt3, parm::AngleHNum, parm::AngleNum, parm::AtomNames, parm::AtomRes, parm::AtomSym, parm::AtomTree, parm::BondAt1, parm::BondAt2, parm::BondHAt1, parm::BondHAt2, parm::BondHNum, parm::BondNum, parm::Boundary, parm::Box, parm::Charges, parm::Cn1, parm::Cn2, parm::Cno, parm::Cutcap, DBLFMT, parm::DihAt1, parm::DihAt2, parm::DihAt3, parm::DihAt4, parm::DihHAt1, parm::DihHAt2, parm::DihHAt3, parm::DihHAt4, parm::DihHNum, parm::DihNum, parm::ExclAt, get, parm::HB12, parm::HB6, parm::Iac, parm::Iblo, parm::IfBox, parm::IfCap, parm::Ipatm, parm::Ipres, parm::Iptres, parm::ititl, parm::Masses, parm::Mbona, MOLFILE_ERROR, parm::Mphia, parm::Mtheta, parm::Nat3, parm::Natcap, parm::Natom, parm::Natyp, parm::Nbona, parm::Nbonh, parm::Nhparm, parm::Nmxrs, parm::Nnb, parm::Nparm, parm::Nphb, parm::Nphia, parm::Nphih, parm::Nptra, parm::Nres, parm::Nspm, parm::Nspsol, parm::Ntheta, parm::Ntheth, parm::Nttyp, parm::Ntype2d, parm::Ntypes, parm::Numang, parm::Numbnd, parm::Phase, parm::Pk, parm::Pn, preadln, prm, read_fortran_12I6, readtoeoln, parm::Req, parm::ResNames, parm::Rk, parm::Solty, parm::Teq, parm::Tk, parm::TreeJoin, parm::Xcap, parm::Ycap, and parm::Zcap.

Referenced by open_parm_read.


Member Data Documentation

int ReadPARM::popn
 

Definition at line 86 of file ReadPARM.h.

Referenced by open_parm_file, and ReadPARM.

parmstruct* ReadPARM::prm
 

Definition at line 87 of file ReadPARM.h.

Referenced by get_hydrogen_bond, get_parm_atom, get_parm_bond, get_parm_boxInfo, get_parm_natoms, get_parm_nbonds, and readparm.


The documentation for this class was generated from the following file:
Generated on Fri Jan 24 02:56:43 2020 for VMD Plugins (current) by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002