GromacsHydrogenConstructor Class Reference

#include <gromacs_block_modifiers.hh>

Inherits ost::mol::mm::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)

---

Detailed Description

Definition at line 54 of file gromacs_block_modifiers.hh.

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Constructor & Destructor Documentation

GromacsHydrogenConstructor

(

)

[inline]

Definition at line 58 of file gromacs_block_modifiers.hh.

---

Member Function Documentation

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

virtual void ApplyOnBuildingBlock

(

BuildingBlockPtr

)

[virtual]

Implements HydrogenConstructor.

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

Implements HydrogenConstructor.

virtual BlockModifierType GetBlockModifierType

(

)

[inline, virtual]

Implements HydrogenConstructor.

Definition at line 80 of file gromacs_block_modifiers.hh.

const std::vector<String>& GetHydrogenRuleAnchors

(

uint

idx

)

const [inline]

Definition at line 76 of file gromacs_block_modifiers.hh.

int GetHydrogenRuleMethod

(

uint

idx

)

const [inline]

Definition at line 72 of file gromacs_block_modifiers.hh.

const std::vector<String>& GetHydrogenRuleNames

(

uint

idx

)

const [inline]

Definition at line 74 of file gromacs_block_modifiers.hh.

int GetHydrogenRuleNumber

(

uint

idx

)

const [inline]

Definition at line 71 of file gromacs_block_modifiers.hh.

uint GetNumHydrogenRules

(

)

const [inline]

Definition at line 69 of file gromacs_block_modifiers.hh.

virtual void OnSave

(

ost::io::BinaryDataSink &

ds

)

[inline, virtual]

Implements HydrogenConstructor.

Definition at line 78 of file gromacs_block_modifiers.hh.

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:

• stage/include/ost/mol/mm/gromacs_block_modifiers.hh