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cmd_mol.C File Reference

#include <ctype.h>
#include <stdlib.h>
#include <tcl.h>
#include "config.h"
#include "utilities.h"
#include "VMDApp.h"
#include "TclCommands.h"
#include "VMDDisplayList.h"
#include "MoleculeList.h"

Go to the source code of this file.

Compounds
class	IdList
	calculate which molecules to operate upon from the given molecule name; put the data in idList, and return the pointer to the integer list. If NULL is returned, there was an error or no molecules were specified. If an error occurs, this prints out the error message as well. Molecule names are of the form <n1>[|<n2>[.... [|<nN>]...]] where <ni> is either "all", "top", "active", "inactive", "displayed", "on", "off", "fixed", "free", "none", or an ID. There should be no spaces in the name. More...
Functions
void	print_mol_summary (Tcl_Interp *interp, VMDApp *app, int molid)
void	print_arep_summary (Tcl_Interp *interp, VMDApp *app, int molid, int i)
void	cmd_mol_list (Tcl_Interp *interp, VMDApp *app, const char *moltxt)
void	cmd_mol_usage (Tcl_Interp *interp)
int	text_cmd_mol (ClientData cd, Tcl_Interp *interp, int argc, const char *argv[])

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Function Documentation

void cmd_mol_list (  Tcl_Interp *    interp, VMDApp *    app, const char *    moltxt )  [static]

Definition at line 200 of file cmd_mol.C. References IdList::find, VMDApp::molecule_name, NULL, IdList::num, VMDApp::num_molreps, print_arep_summary, and print_mol_summary. Referenced by text_cmd_mol.

void cmd_mol_usage (  Tcl_Interp *    interp )  [static]

Definition at line 220 of file cmd_mol.C. References NULL. Referenced by text_cmd_mol.

void print_arep_summary (  Tcl_Interp *    interp, VMDApp *    app, int    molid, int    i )  [static]

Definition at line 183 of file cmd_mol.C. References VMDApp::molecule_is_displayed, VMDApp::molecule_valid_id, VMDApp::molrep_get_color, VMDApp::molrep_get_selection, VMDApp::molrep_get_style, VMDApp::molrep_numselected, NULL, and VMDApp::num_molreps. Referenced by cmd_mol_list.

void print_mol_summary (  Tcl_Interp *    interp, VMDApp *    app, int    molid )  [static]

Definition at line 168 of file cmd_mol.C. References VMDApp::molecule_frame, VMDApp::molecule_is_active, VMDApp::molecule_is_displayed, VMDApp::molecule_is_fixed, VMDApp::molecule_name, VMDApp::molecule_numatoms, VMDApp::molecule_numframes, VMDApp::molecule_top, VMDApp::molecule_valid_id, and NULL. Referenced by cmd_mol_list.

int text_cmd_mol (  ClientData    cd, Tcl_Interp *    interp, int    argc, const char *    argv[] )

Definition at line 278 of file cmd_mol.C. References FileSpec::autobonds, cmd_mol_list, cmd_mol_usage, combine_arguments, data, MoleculeList::default_color, MoleculeList::default_material, MoleculeList::default_representation, MoleculeList::default_selection, FileSpec::filebonds, IdList::find, FileSpec::first, VMDApp::guess_filetype, FileSpec::last, VMDApp::molecule_activate, VMDApp::molecule_add_volumetric, VMDApp::molecule_addrep, VMDApp::molecule_bondsrecalc, VMDApp::molecule_cancel_io, VMDApp::molecule_delete, VMDApp::molecule_delete_all, VMDApp::molecule_display, VMDApp::molecule_fix, VMDApp::molecule_get_color, VMDApp::molecule_get_material, VMDApp::molecule_get_selection, VMDApp::molecule_get_style, VMDApp::molecule_load, VMDApp::molecule_make_top, VMDApp::molecule_new, VMDApp::molecule_reanalyze, VMDApp::molecule_rename, VMDApp::molecule_set_color, VMDApp::molecule_set_material, VMDApp::molecule_set_selection, VMDApp::molecule_set_style, VMDApp::molecule_ssrecalc, VMDApp::molecule_top, VMDApp::molecule_valid_id, VMDApp::moleculeList, VMDApp::molrep_delete, VMDApp::molrep_get_by_name, VMDApp::molrep_get_clipplane, VMDApp::molrep_get_colorupdate, VMDApp::molrep_get_drawframes, VMDApp::molrep_get_name, VMDApp::molrep_get_pbc, VMDApp::molrep_get_pbc_images, VMDApp::molrep_get_scaleminmax, VMDApp::molrep_get_selupdate, VMDApp::molrep_get_smoothing, VMDApp::molrep_is_shown, VMDApp::molrep_reset_scaleminmax, VMDApp::molrep_set_clipcenter, VMDApp::molrep_set_clipcolor, VMDApp::molrep_set_clipnormal, VMDApp::molrep_set_clipstatus, VMDApp::molrep_set_color, VMDApp::molrep_set_colorupdate, VMDApp::molrep_set_drawframes, VMDApp::molrep_set_material, VMDApp::molrep_set_pbc, VMDApp::molrep_set_pbc_images, VMDApp::molrep_set_scaleminmax, VMDApp::molrep_set_selection, VMDApp::molrep_set_selupdate, VMDApp::molrep_set_smoothing, VMDApp::molrep_set_style, VMDApp::molrep_show, NULL, IdList::num, VMDApp::num_clipplanes, VMDApp::num_molreps, FileSpec::nvolsets, PBC_NONE, PBC_NOSELF, PBC_OPX, PBC_OPY, PBC_OPZ, PBC_X, PBC_Y, PBC_Z, MoleculeList::set_default_color, MoleculeList::set_default_material, MoleculeList::set_default_representation, MoleculeList::set_default_selection, FileSpec::setids, FileSpec::stride, strupncmp, tcl_get_vector, vmd_tempfile, and FileSpec::waitfor.

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