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colvarproxy_vmd.C File Reference

#include <tcl.h>
#include "VMDApp.h"
#include "DrawMolecule.h"
#include "MoleculeList.h"
#include "Timestep.h"
#include "Residue.h"
#include "Inform.h"
#include "utilities.h"
#include "colvarmodule.h"
#include "colvarscript.h"
#include "colvaratoms.h"
#include "colvarproxy.h"
#include "colvarproxy_vmd.h"

Go to the source code of this file.

Enumerations

enum  e_pdb_field {
  e_pdb_none, e_pdb_occ, e_pdb_beta, e_pdb_x,
  e_pdb_y, e_pdb_z, e_pdb_ntot
}

Functions

int tcl_run_colvarscript_command (ClientData clientData, Tcl_Interp *interp_in, int objc, Tcl_Obj *const objv[])
 Run the script API via Tcl command-line interface
Parameters:
clientData  Not used
my_interp  Pointer to Tcl_Interp object (read from Colvars if NULL)
objc  Number of Tcl command parameters
objv  Array of command parameters
Returns:
Result of the script command.
More...


int tcl_colvars (ClientData clientData, Tcl_Interp *interp, int objc, Tcl_Obj *const objv[])
int tcl_colvars_vmd_init (Tcl_Interp *interp, int molid_input)
e_pdb_field pdb_field_str2enum (std::string const &pdb_field_str)

Variables

VMDAppcolvars_vmd_ptr = NULL
colvarproxy_vmdcolvarproxy_vmd_ptr = NULL


Enumeration Type Documentation

enum e_pdb_field
 

Enumeration values:
e_pdb_none 
e_pdb_occ 
e_pdb_beta 
e_pdb_x 
e_pdb_y 
e_pdb_z 
e_pdb_ntot 

Definition at line 391 of file colvarproxy_vmd.C.

Referenced by colvarproxy_vmd::load_atoms, colvarproxy_vmd::load_coords, and pdb_field_str2enum.


Function Documentation

e_pdb_field pdb_field_str2enum std::string const &    pdb_field_str
 

Definition at line 401 of file colvarproxy_vmd.C.

References e_pdb_beta, e_pdb_field, e_pdb_none, e_pdb_occ, e_pdb_x, e_pdb_y, e_pdb_z, colvarmodule::error, and colvarparse::to_lower_cppstr.

Referenced by colvarproxy_vmd::load_atoms, and colvarproxy_vmd::load_coords.

int tcl_colvars ClientData    clientData,
Tcl_Interp *    interp,
int    objc,
Tcl_Obj *const    objv[]
 

Definition at line 45 of file colvarproxy_vmd.C.

References colvars_vmd_ptr, NULL, and tcl_run_colvarscript_command.

int tcl_colvars_vmd_init Tcl_Interp *    interp,
int    molid_input
 

Definition at line 56 of file colvarproxy_vmd.C.

References colvarproxy_vmd_ptr, colvars_vmd_ptr, colvarmodule::get_error, VMDApp::molecule_top, and VMDApp::molecule_valid_id.

int tcl_run_colvarscript_command ClientData    clientData,
Tcl_Interp *    interp_in,
int    objc,
Tcl_Obj *const    objv[]
 

Run the script API via Tcl command-line interface

Parameters:
clientData  Not used
my_interp  Pointer to Tcl_Interp object (read from Colvars if NULL)
objc  Number of Tcl command parameters
objv  Array of command parameters
Returns:
Result of the script command.

Definition at line 1757 of file colvarscript.C.

Referenced by colvarscript::colvarscript.


Variable Documentation

colvarproxy_vmd* colvarproxy_vmd_ptr = NULL [static]
 

Definition at line 31 of file colvarproxy_vmd.C.

Referenced by tcl_colvars_vmd_init.

VMDApp* colvars_vmd_ptr = NULL [static]
 

Definition at line 30 of file colvarproxy_vmd.C.

Referenced by tcl_colvars, and tcl_colvars_vmd_init.


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