GromacsHydrogenConstructor Class Reference

#include <gromacs_block_modifiers.hh>

Inherits HydrogenConstructor.

Public Member Functions
	GromacsHydrogenConstructor ()
virtual void	ApplyOnBuildingBlock (BuildingBlockPtr)
virtual void	ApplyOnResidue (ost::mol::ResidueHandle &res, ost::mol::XCSEditor &ed)
void	AddHydrogenRule (uint number, int method, const std::vector< String > &hydrogen_names, const std::vector< String > &anchors)
uint	GetNumHydrogenRules () const
int	GetHydrogenRuleNumber (uint idx) const
int	GetHydrogenRuleMethod (uint idx) const
const std::vector< String > &	GetHydrogenRuleNames (uint idx) const
const std::vector< String > &	GetHydrogenRuleAnchors (uint idx) const
virtual void	OnSave (ost::io::BinaryDataSink &ds)
virtual BlockModifierType	GetBlockModifierType ()
template<typename DS >
void	Serialize (DS &ds)
Public Member Functions inherited from HydrogenConstructor
	HydrogenConstructor ()
virtual	~HydrogenConstructor ()

Detailed Description

Definition at line 54 of file gromacs_block_modifiers.hh.

Constructor & Destructor Documentation

GromacsHydrogenConstructor()

GromacsHydrogenConstructor ( )

inline

Definition at line 58 of file gromacs_block_modifiers.hh.

Member Function Documentation

AddHydrogenRule()

void AddHydrogenRule	(	uint	number,
		int	method,
		const std::vector< String > &	hydrogen_names,
		const std::vector< String > &	anchors
	)

ApplyOnBuildingBlock()

virtual void ApplyOnBuildingBlock ( BuildingBlockPtr  )

virtual

Implements HydrogenConstructor.

ApplyOnResidue()

virtual void ApplyOnResidue ( ost::mol::ResidueHandle &  res, ost::mol::XCSEditor &  ed  )

virtual

Implements HydrogenConstructor.

GetBlockModifierType()

virtual BlockModifierType GetBlockModifierType ( )

inlinevirtual

Implements HydrogenConstructor.

Definition at line 80 of file gromacs_block_modifiers.hh.

GetHydrogenRuleAnchors()

const std::vector< String > & GetHydrogenRuleAnchors ( uint  idx ) const

inline

Definition at line 76 of file gromacs_block_modifiers.hh.

GetHydrogenRuleMethod()

int GetHydrogenRuleMethod ( uint  idx ) const

inline

Definition at line 72 of file gromacs_block_modifiers.hh.

GetHydrogenRuleNames()

const std::vector< String > & GetHydrogenRuleNames ( uint  idx ) const

inline

Definition at line 74 of file gromacs_block_modifiers.hh.

GetHydrogenRuleNumber()

int GetHydrogenRuleNumber ( uint  idx ) const

inline

Definition at line 71 of file gromacs_block_modifiers.hh.

GetNumHydrogenRules()

uint GetNumHydrogenRules ( ) const

inline

Definition at line 69 of file gromacs_block_modifiers.hh.

OnSave()

virtual void OnSave ( ost::io::BinaryDataSink &  ds )

inlinevirtual

Implements HydrogenConstructor.

Definition at line 78 of file gromacs_block_modifiers.hh.

Serialize()

template<typename DS >

void Serialize ( DS &  ds )

inline

Definition at line 83 of file gromacs_block_modifiers.hh.

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

• build-dev/stage/include/ost/mol/mm/gromacs_block_modifiers.hh