RODSFrame Class Reference

#include <rods.h>

Inheritance diagram for RODSFrame:

List of all members.

Public Member Functions
	RODSFrame ()
void	rods_potential ()
virtual void	potential ()
virtual void	initvars ()
virtual void	initparser ()
virtual int	exec (char *name)
virtual void	calcprop ()
virtual void	Alloc ()
virtual void	plot ()
void	init_structure ()
void	final_structure ()
void	connect_nodes ()
void	Alloc_Bonds ()
void	zero_com_rotation ()
Public Attributes
double *	BOND_R0
double	BOND_K
double	REPUL
int *	BOND_INDEX
int	NUM_BONDS

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Detailed Description

Definition at line 16 of file rods.h.

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Constructor & Destructor Documentation

RODSFrame::RODSFrame

(

)

[inline]

Definition at line 23 of file rods.h.

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Member Function Documentation

void RODSFrame::Alloc

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 32 of file rods.cpp.

References MDFrame::_Fext, MDFrame::_NP, MDFrame::allocmultiple, Organizer::bindvar(), DOUBLE, and Realloc.

Referenced by init_structure().

void RODSFrame::Alloc_Bonds

(

)

Definition at line 42 of file rods.cpp.

References BOND_INDEX, BOND_R0, NUM_BONDS, and Realloc.

Referenced by connect_nodes().

void RODSFrame::calcprop

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 219 of file rods.cpp.

void RODSFrame::connect_nodes

(

)

Definition at line 137 of file rods.cpp.

References MDFrame::_R, Alloc_Bonds(), BOND_INDEX, BOND_R0, INFO_Printf, Vector3::norm(), NUM_BONDS, and MDFrame::SHtoR().

Referenced by exec(), and init_structure().

int RODSFrame::exec

(

char *

name

)

[virtual]

Reimplemented from MDFrame.

Definition at line 22 of file rods.cpp.

References bindcommand, connect_nodes(), MDFrame::exec(), final_structure(), init_structure(), and zero_com_rotation().

void RODSFrame::final_structure

(

)

Definition at line 101 of file rods.cpp.

References MDFrame::_NP, MDFrame::_R, MDFrame::RHtoS(), and Vector3::set().

Referenced by exec().

void RODSFrame::init_structure

(

)

Definition at line 61 of file rods.cpp.

References MDFrame::_NP, MDFrame::_R, Alloc(), connect_nodes(), MDFrame::RHtoS(), and Vector3::set().

Referenced by exec().

void RODSFrame::initparser

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 15 of file rods.cpp.

References Organizer::bindvar(), BOND_K, DOUBLE, and REPUL.

void RODSFrame::initvars

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 54 of file rods.cpp.

References MDFrame::_RLIST, and MDFrame::_SKIN.

void RODSFrame::plot

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 379 of file rods.cpp.

References MDFrame::_EPOT_IND, MDFrame::_F, MDFrame::_NP, MDFrame::_R, MDFrame::_SR, MDFrame::_TOPOL, SYWindow::alive, MDFrame::atomradius, BOND_INDEX, MDFrame::bondradius, SYWindow::Clear(), MDFrame::color_ind, MDFrame::colors, SYWindow::DrawLine(), SYWindow::DrawPoint(), drawsline, MDFrame::fixed, SYWindow::Lock(), max, MAXCOLORS, NULL, NUM_BONDS, MDFrame::plot_atom_info, MDFrame::plot_color_axis, MDFrame::plot_map_pbc, SYWindow::Refresh(), s, MDFrame::s2, MDFrame::SHtoR(), MDFrame::species, Vector3::subint(), SYWindow::Unlock(), MDFrame::win, Vector3::x, Vector3::y, and Vector3::z.

void RODSFrame::potential

(

)

[virtual]

Reimplemented from MDFrame.

Definition at line 299 of file rods.cpp.

References rods_potential().

void RODSFrame::rods_potential

(

)

Definition at line 224 of file rods.cpp.

References MDFrame::_EPOT, MDFrame::_EPOT_IND, MDFrame::_F, MDFrame::_Fext, MDFrame::_NP, MDFrame::_R, BOND_INDEX, BOND_K, BOND_R0, Vector3::clear(), DUMP, MDFrame::fixed, HIG, NOR, Vector3::norm2(), NUM_BONDS, refreshneighborlist, REPUL, MDFrame::SHtoR(), and SQR.

Referenced by potential().

void RODSFrame::zero_com_rotation

(

)

Definition at line 304 of file rods.cpp.

References MDFrame::_NP, MDFrame::_R, MDFrame::_SR, MDFrame::_VR, MDFrame::_VSR, MDFrame::fixed, Matrix33::inv(), Vector3::x, Vector3::y, and Vector3::z.

Referenced by exec().

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Member Data Documentation

int* RODSFrame::BOND_INDEX

Definition at line 20 of file rods.h.

Referenced by Alloc_Bonds(), connect_nodes(), plot(), and rods_potential().

double RODSFrame::BOND_K

Definition at line 19 of file rods.h.

Referenced by initparser(), and rods_potential().

double* RODSFrame::BOND_R0

Definition at line 19 of file rods.h.

Referenced by Alloc_Bonds(), connect_nodes(), and rods_potential().

int RODSFrame::NUM_BONDS

Definition at line 21 of file rods.h.

Referenced by Alloc_Bonds(), connect_nodes(), plot(), and rods_potential().

double RODSFrame::REPUL

Definition at line 19 of file rods.h.

Referenced by initparser(), and rods_potential().

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

• My Documents/Codes/MD++.svn/trunk/src/rods.h
• My Documents/Codes/MD++.svn/trunk/src/rods.cpp