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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[])


Function Documentation

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

Definition at line 212 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 231 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 195 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 180 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 298 of file cmd_mol.C.

References FileSpec::autobonds, cmd_mol_list, cmd_mol_usage, DrawMolItem::COL_REGEN, combine_arguments, data, MoleculeList::default_color, MoleculeList::default_material, MoleculeList::default_representation, MoleculeList::default_selection, FileSpec::filebonds, IdList::find, FileSpec::first, DrawMolecule::force_recalc, VMDApp::guess_filetype, INSTANCE_ALL, INSTANCE_NONE, INSTANCE_NOSELF, FileSpec::last, Matrix4::mat, mat, BaseMolecule::modify_volume_data, MoleculeList::mol_from_id, VMDApp::molecule_activate, VMDApp::molecule_add_instance, 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_from_selection_list, 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_num_instances, VMDApp::molecule_orblocalize, VMDApp::molecule_reanalyze, VMDApp::molecule_rename, VMDApp::molecule_set_color, VMDApp::molecule_set_dataset_flag, 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_instances, 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_instances, 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, Matrix4::multpoint3d, Matrix4::multpoint4d, NULL, IdList::num, VMDApp::num_clipplanes, VMDApp::num_molreps, BaseMolecule::num_volume_data, FileSpec::nvolsets, VolumetricData::origin, PBC_NONE, PBC_NOSELF, PBC_OPX, PBC_OPY, PBC_OPZ, PBC_X, PBC_Y, PBC_Z, BaseMolecule::remove_volume_data, result, VolumetricData::scale_volume, MoleculeList::set_default_color, MoleculeList::set_default_material, MoleculeList::set_default_representation, MoleculeList::set_default_selection, VolumetricData::set_volume_axes, VolumetricData::set_volume_origin, FileSpec::setids, size, FileSpec::stride, strupncmp, tcl_commands_get_sel, tcl_get_matrix, tcl_get_vector, vmd_tempfile, FileSpec::WAIT_ALL, FileSpec::waitfor, VolumetricData::xaxis, VolumetricData::yaxis, and VolumetricData::zaxis.


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