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FileSpec Struct Reference

File loading parameter specification, what frames, volume sets, etc to load. More...

#include <VMDApp.h>

List of all members.

Public Types
enum	WaitFor { WAIT_ALL = -1, WAIT_BACK = 1 }
Public Methods
	FileSpec ()
	FileSpec (const FileSpec &s)
	~FileSpec ()
Public Attributes
int	autobonds
	whether to allow automatic bond determination. More...
int	filebonds
	whether to honor bonds specified by the loaded file(s). More...
int	first
	first timestep to read/write. More...
int	last
	last timestep to read/write. More...
int	stride
	stride to take in reading/writing timesteps. More...
int	waitfor
	whether to wait for all timesteps before continuing. More...
int	nvolsets
	number of volume sets in list. More...
int *	setids
	list of volumesets to load/save. More...
int *	selection
	if non-NULL, flags for selected atoms to read/write. More...

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Detailed Description

File loading parameter specification, what frames, volume sets, etc to load.

Definition at line 75 of file VMDApp.h.

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Member Enumeration Documentation

enum FileSpec::WaitFor

Enumeration values: WAIT_ALL  Wait for all frames to load in foreground. WAIT_BACK  Proceed while frames load in background. Definition at line 76 of file VMDApp.h.

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Constructor & Destructor Documentation

FileSpec::FileSpec (    )  [inline]

Definition at line 90 of file VMDApp.h. References autobonds, filebonds, first, last, NULL, nvolsets, selection, setids, stride, WAIT_BACK, and waitfor.

FileSpec::FileSpec (  const FileSpec &    s )  [inline]

Definition at line 102 of file VMDApp.h. References autobonds, filebonds, first, last, NULL, nvolsets, selection, setids, stride, and waitfor.

FileSpec::~FileSpec (    )  [inline]

Definition at line 122 of file VMDApp.h. References setids.

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Member Data Documentation

int FileSpec::autobonds

whether to allow automatic bond determination. Definition at line 80 of file VMDApp.h. Referenced by CmdMolLoad::create_text, FileSpec, colvarproxy_vmd::load_atoms, colvarproxy_vmd::load_coords, VMDApp::molecule_load, and text_cmd_mol.

int FileSpec::filebonds

whether to honor bonds specified by the loaded file(s). Definition at line 81 of file VMDApp.h. Referenced by FileSpec, VMDApp::molecule_load, and text_cmd_mol.

int FileSpec::first

first timestep to read/write. Definition at line 82 of file VMDApp.h. Referenced by access_tcl_atomsel, CmdMolLoad::create_text, SaveTrajectoryFltkMenu::do_save, FileSpec, VMDApp::molecule_load, VMDApp::molecule_savetrajectory, py_mol_read, py_mol_write, py_write, text_cmd_animate, and text_cmd_mol.

int FileSpec::last

last timestep to read/write. Definition at line 83 of file VMDApp.h. Referenced by access_tcl_atomsel, CmdMolLoad::create_text, SaveTrajectoryFltkMenu::do_save, FileSpec, VMDApp::molecule_load, VMDApp::molecule_savetrajectory, py_mol_read, py_mol_write, py_write, text_cmd_animate, and text_cmd_mol.

int FileSpec::nvolsets

number of volume sets in list. Definition at line 86 of file VMDApp.h. Referenced by CmdMolLoad::create_text, FileSpec, VMDApp::molecule_load, VMDApp::molecule_savetrajectory, py_mol_read, text_cmd_animate, text_cmd_mol, and VolMapCreateILS::write_map.

int* FileSpec::selection

if non-NULL, flags for selected atoms to read/write. Definition at line 88 of file VMDApp.h. Referenced by access_tcl_atomsel, SaveTrajectoryFltkMenu::do_save, FileSpec, VMDApp::molecule_savetrajectory, py_mol_write, py_write, and text_cmd_animate.

int* FileSpec::setids

list of volumesets to load/save. Definition at line 87 of file VMDApp.h. Referenced by CmdMolLoad::create_text, FileSpec, VMDApp::molecule_load, VMDApp::molecule_savetrajectory, py_mol_read, text_cmd_animate, text_cmd_mol, VolMapCreateILS::write_map, and ~FileSpec.

int FileSpec::stride

stride to take in reading/writing timesteps. Definition at line 84 of file VMDApp.h. Referenced by access_tcl_atomsel, CmdMolLoad::create_text, SaveTrajectoryFltkMenu::do_save, FileSpec, VMDApp::molecule_load, VMDApp::molecule_savetrajectory, py_mol_read, py_mol_write, py_write, text_cmd_animate, and text_cmd_mol.

int FileSpec::waitfor

whether to wait for all timesteps before continuing. Definition at line 85 of file VMDApp.h. Referenced by access_tcl_atomsel, CmdMolLoad::create_text, density_add, density_average, density_binmask, density_clamp, density_com, density_correlate, density_crop, density_downsample, density_histogram, density_info, density_mdff_potential, density_move, density_moveto, density_multiply, density_range, density_sadd, density_save, density_sigma, density_smooth, density_smult, density_subtract, density_supersample, density_trim, SaveTrajectoryFltkMenu::do_save, FileSpec, fit, mask, mdff_cc, VMDApp::molecule_load, VMDApp::molecule_savetrajectory, py_mol_load, py_mol_read, py_mol_write, py_write, text_cmd_animate, text_cmd_mol, and VMDreadStartup.

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The documentation for this struct was generated from the following file:

• VMDApp.h

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