ResidueInfo Class Reference

#include <Compound.h>

List of all members.

Classes
class	AtomInfo
Public Member Functions
	SimTK_DEFINE_UNIQUE_LOCAL_INDEX_TYPE (ResidueInfo, Index)
	BiopolymerResidue::Index type is an integer index into residues of a Biopolymer.
	SimTK_DEFINE_UNIQUE_LOCAL_INDEX_TYPE (ResidueInfo, AtomIndex)
	ResidueInfo (ResidueInfo::Index ix, const Compound::Name &name, const BiopolymerResidue &res, Compound::AtomIndex atomOffset, char insertionCode= ' ')
AtomIndex	addAtom (Compound::AtomIndex index, const Compound::AtomName &name)
size_t	getNumAtoms () const
const AtomInfo &	getAtomInfo (AtomIndex a) const
AtomInfo &	updAtomInfo (AtomIndex a)
const std::set< Compound::Name > &	getNames () const
const Compound::Name &	getPdbResidueName () const
const int	getPdbResidueNumber () const
const char	getPdbInsertionCode () const
Compound::AtomIndex	getAtomIndex (ResidueInfo::AtomIndex a) const
Compound::AtomIndex	getAtomIndex (Compound::AtomName a) const
const String &	getAtomName (ResidueInfo::AtomIndex a) const
const std::set < Compound::AtomName > &	getAtomSynonyms (ResidueInfo::AtomIndex a) const
const Compound::Name &	getName () const
ResidueInfo &	setPdbResidueNumber (int num)
ResidueInfo::Index	getIndex () const

---

Constructor & Destructor Documentation

ResidueInfo	(	ResidueInfo::Index	ix,
		const Compound::Name &	name,
		const BiopolymerResidue &	res,
		Compound::AtomIndex	atomOffset,
		char	insertionCode = ' '
	)

---

Member Function Documentation

AtomIndex addAtom	(	Compound::AtomIndex	index,
		const Compound::AtomName &	name
	)			[inline]

Compound::AtomIndex getAtomIndex

(

Compound::AtomName

a

)

const [inline]

Compound::AtomIndex getAtomIndex

(

ResidueInfo::AtomIndex

a

)

const [inline]

Referenced by RNA::calcRNABaseNormal().

const AtomInfo& getAtomInfo

(

AtomIndex

a

)

const [inline]

const String& getAtomName

(

ResidueInfo::AtomIndex

a

)

const [inline]

const std::set<Compound::AtomName>& getAtomSynonyms

(

ResidueInfo::AtomIndex

a

)

const [inline]

ResidueInfo::Index getIndex

(

)

const [inline]

const Compound::Name& getName

(

)

const [inline]

const std::set<Compound::Name>& getNames

(

)

const [inline]

size_t getNumAtoms

(

)

const [inline]

const char getPdbInsertionCode

(

)

const [inline]

const Compound::Name& getPdbResidueName

(

)

const [inline]

Referenced by RNA::calcRNABaseNormal().

const int getPdbResidueNumber

(

)

const [inline]

ResidueInfo& setPdbResidueNumber

(

int

num

)

[inline]

SimTK_DEFINE_UNIQUE_LOCAL_INDEX_TYPE	(	ResidueInfo	,
		AtomIndex
	)

SimTK_DEFINE_UNIQUE_LOCAL_INDEX_TYPE	(	ResidueInfo	,
		Index
	)

BiopolymerResidue::Index type is an integer index into residues of a Biopolymer.

AtomInfo& updAtomInfo

(

AtomIndex

a

)

[inline]

---

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

• Compound.h