AtomProp Class Reference

#include <atom_prop.hh>

Public Member Functions
	AtomProp ()
	AtomProp (Real r, Real m, Real c=0.0)
	AtomProp (const AtomProp &rhs)

Static Public Member Functions
static AtomProp *	GetDefaultProps (const String &ele)

Data Fields
Real	radius
Real	charge
Real	mass
bool	has_anisou
bool	is_default
geom::Mat3	anisou

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Detailed Description

Definition at line 29 of file atom_prop.hh.

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Constructor & Destructor Documentation

AtomProp ( )

inline

Definition at line 31 of file atom_prop.hh.

AtomProp ( Real  r, Real  m, Real  c = 0.0  )

inline

Definition at line 36 of file atom_prop.hh.

AtomProp ( const AtomProp &  rhs )

inline

Definition at line 39 of file atom_prop.hh.

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Member Function Documentation

static AtomProp* GetDefaultProps ( const String &  ele )

static

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Field Documentation

geom::Mat3 anisou

Definition at line 48 of file atom_prop.hh.

Real charge

Definition at line 44 of file atom_prop.hh.

bool has_anisou

Definition at line 46 of file atom_prop.hh.

bool is_default

Definition at line 47 of file atom_prop.hh.

Real mass

Definition at line 45 of file atom_prop.hh.

Real radius

Definition at line 43 of file atom_prop.hh.

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

• stage/include/ost/mol/impl/atom_prop.hh