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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
VMDApp *	colvars_vmd_ptr = NULL
colvarproxy_vmd *	colvarproxy_vmd_ptr = NULL

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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.

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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.

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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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