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VolMapCreateCoulombPotentialMSM Class Reference

#include <VolMapCreate.h>

Inheritance diagram for VolMapCreateCoulombPotentialMSM:

List of all members.

Public Methods
	VolMapCreateCoulombPotentialMSM (VMDApp *app, AtomSel *sel, float res)
Protected Methods
int	compute_init ()
	called before computing individual frames. More...
int	compute_frame (int frame, float *voldata)

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Constructor & Destructor Documentation

VolMapCreateCoulombPotentialMSM::VolMapCreateCoulombPotentialMSM (  VMDApp *    app, AtomSel *    sel, float    res )  [inline]

Definition at line 186 of file VolMapCreate.h. References VolMapCreate::app, and VolMapCreate::sel.

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Member Function Documentation

int VolMapCreateCoulombPotentialMSM::compute_frame (  int    frame, float *    voldata )  [protected, virtual]

Implements VolMapCreate. Definition at line 1020 of file VolMapCreate.C. References Timestep::a_length, Timestep::alpha, VolMapCreate::app, Timestep::b_length, Timestep::beta, Timestep::c_length, VolumetricData::cell_axes, AtomSel::change, AtomSel::coordinates, NameList< float * >::data, VolMapCreate::delta, BaseMolecule::extraflt, AtomSel::firstsel, Timestep::gamma, AtomSel::lastsel, MEASURE_ERR_NORADII, MoleculeList::mol_from_id, VMDApp::moleculeList, AtomSel::molid, Msmpot_compute, Msmpot_compute_exact, Msmpot_configure, Msmpot_create, Msmpot_destroy, Msmpot_error_string, MSMPOT_SUCCESS, NULL, AtomSel::on, VolumetricData::origin, POT_CONV, VolMapCreate::sel, AtomSel::selected, AtomSel::timestep, VolMapCreate::volmap, AtomSel::which_frame, VolumetricData::xsize, VolumetricData::ysize, and VolumetricData::zsize.

int VolMapCreateCoulombPotentialMSM::compute_init (    )  [protected, virtual]

called before computing individual frames. Reimplemented from VolMapCreate. Definition at line 1006 of file VolMapCreate.C. References VolMapCreate::calculate_max_radius, AtomSel::cmdStr, VolMapCreate::compute_init, VolMapCreate::sel, VolumetricData::set_name, and VolMapCreate::volmap.

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The documentation for this class was generated from the following files:

• VolMapCreate.h
• VolMapCreate.C

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