CDPL::ConfGen::TorsionCategory Class Reference

#include <TorsionCategory.hpp>

Inheritance diagram for CDPL::ConfGen::TorsionCategory:

Public Types
typedef CategoryList::iterator	CategoryIterator
typedef CategoryList::const_iterator	ConstCategoryIterator
typedef RuleList::iterator	RuleIterator
typedef RuleList::const_iterator	ConstRuleIterator

Public Member Functions
	TorsionCategory ()
virtual	~TorsionCategory ()
const std::string &	getName () const
void	setName (const std::string &name)
const std::string &	getMatchPatternString () const
void	setMatchPatternString (const std::string &ptn_str)
const Chem::MolecularGraph::SharedPointer &	getMatchPattern () const
void	setMatchPattern (const Chem::MolecularGraph::SharedPointer &ptn)
unsigned int	getBondAtom1Type () const
void	setBondAtom1Type (unsigned int type)
unsigned int	getBondAtom2Type () const
void	setBondAtom2Type (unsigned int type)
TorsionCategory &	addCategory ()
TorsionCategory &	addCategory (const TorsionCategory &cat)
TorsionRule &	addRule ()
TorsionRule &	addRule (const TorsionRule &rule)
std::size_t	getNumCategories (bool recursive=false) const
std::size_t	getNumRules (bool recursive=false) const
TorsionCategory &	getCategory (std::size_t idx)
const TorsionCategory &	getCategory (std::size_t idx) const
TorsionRule &	getRule (std::size_t idx)
const TorsionRule &	getRule (std::size_t idx) const
void	removeCategory (std::size_t idx)
void	removeRule (std::size_t idx)
void	removeCategory (const CategoryIterator &it)
void	removeRule (const RuleIterator &it)
CategoryIterator	getCategoriesBegin ()
CategoryIterator	getCategoriesEnd ()
ConstCategoryIterator	getCategoriesBegin () const
ConstCategoryIterator	getCategoriesEnd () const
RuleIterator	getRulesBegin ()
RuleIterator	getRulesEnd ()
ConstRuleIterator	getRulesBegin () const
ConstRuleIterator	getRulesEnd () const
void	swap (TorsionCategory &cat)
void	clear ()

Member Typedef Documentation

CategoryIterator

typedef CategoryList::iterator CDPL::ConfGen::TorsionCategory::CategoryIterator

ConstCategoryIterator

typedef CategoryList::const_iterator CDPL::ConfGen::TorsionCategory::ConstCategoryIterator

RuleIterator

typedef RuleList::iterator CDPL::ConfGen::TorsionCategory::RuleIterator

ConstRuleIterator

typedef RuleList::const_iterator CDPL::ConfGen::TorsionCategory::ConstRuleIterator

Constructor & Destructor Documentation

TorsionCategory()

CDPL::ConfGen::TorsionCategory::TorsionCategory

(

)

~TorsionCategory()

virtual CDPL::ConfGen::TorsionCategory::~TorsionCategory ( )

inlinevirtual

Member Function Documentation

getName()

const std::string& CDPL::ConfGen::TorsionCategory::getName

(

)

const

setName()

void CDPL::ConfGen::TorsionCategory::setName

(

const std::string &

name

)

getMatchPatternString()

const std::string& CDPL::ConfGen::TorsionCategory::getMatchPatternString

(

)

const

setMatchPatternString()

void CDPL::ConfGen::TorsionCategory::setMatchPatternString

(

const std::string &

ptn_str

)

getMatchPattern()

const Chem::MolecularGraph::SharedPointer& CDPL::ConfGen::TorsionCategory::getMatchPattern

(

)

const

setMatchPattern()

void CDPL::ConfGen::TorsionCategory::setMatchPattern

(

const Chem::MolecularGraph::SharedPointer &

ptn

)

getBondAtom1Type()

unsigned int CDPL::ConfGen::TorsionCategory::getBondAtom1Type

(

)

const

setBondAtom1Type()

void CDPL::ConfGen::TorsionCategory::setBondAtom1Type

(

unsigned int

type

)

getBondAtom2Type()

unsigned int CDPL::ConfGen::TorsionCategory::getBondAtom2Type

(

)

const

setBondAtom2Type()

void CDPL::ConfGen::TorsionCategory::setBondAtom2Type

(

unsigned int

type

)

addCategory() [1/2]

TorsionCategory& CDPL::ConfGen::TorsionCategory::addCategory

(

)

addCategory() [2/2]

TorsionCategory& CDPL::ConfGen::TorsionCategory::addCategory

(

const TorsionCategory &

cat

)

addRule() [1/2]

TorsionRule& CDPL::ConfGen::TorsionCategory::addRule

(

)

addRule() [2/2]

TorsionRule& CDPL::ConfGen::TorsionCategory::addRule

(

const TorsionRule &

rule

)

getNumCategories()

std::size_t CDPL::ConfGen::TorsionCategory::getNumCategories

(

bool

recursive = false

)

const

getNumRules()

std::size_t CDPL::ConfGen::TorsionCategory::getNumRules

(

bool

recursive = false

)

const

getCategory() [1/2]

TorsionCategory& CDPL::ConfGen::TorsionCategory::getCategory

(

std::size_t

idx

)

getCategory() [2/2]

const TorsionCategory& CDPL::ConfGen::TorsionCategory::getCategory

(

std::size_t

idx

)

const

getRule() [1/2]

TorsionRule& CDPL::ConfGen::TorsionCategory::getRule

(

std::size_t

idx

)

getRule() [2/2]

const TorsionRule& CDPL::ConfGen::TorsionCategory::getRule

(

std::size_t

idx

)

const

removeCategory() [1/2]

void CDPL::ConfGen::TorsionCategory::removeCategory

(

std::size_t

idx

)

removeRule() [1/2]

void CDPL::ConfGen::TorsionCategory::removeRule

(

std::size_t

idx

)

removeCategory() [2/2]

void CDPL::ConfGen::TorsionCategory::removeCategory

(

const CategoryIterator &

it

)

removeRule() [2/2]

void CDPL::ConfGen::TorsionCategory::removeRule

(

const RuleIterator &

it

)

getCategoriesBegin() [1/2]

CategoryIterator CDPL::ConfGen::TorsionCategory::getCategoriesBegin

(

)

getCategoriesEnd() [1/2]

CategoryIterator CDPL::ConfGen::TorsionCategory::getCategoriesEnd

(

)

getCategoriesBegin() [2/2]

ConstCategoryIterator CDPL::ConfGen::TorsionCategory::getCategoriesBegin

(

)

const

getCategoriesEnd() [2/2]

ConstCategoryIterator CDPL::ConfGen::TorsionCategory::getCategoriesEnd

(

)

const

getRulesBegin() [1/2]

RuleIterator CDPL::ConfGen::TorsionCategory::getRulesBegin

(

)

getRulesEnd() [1/2]

RuleIterator CDPL::ConfGen::TorsionCategory::getRulesEnd

(

)

getRulesBegin() [2/2]

ConstRuleIterator CDPL::ConfGen::TorsionCategory::getRulesBegin

(

)

const

getRulesEnd() [2/2]

ConstRuleIterator CDPL::ConfGen::TorsionCategory::getRulesEnd

(

)

const

swap()

void CDPL::ConfGen::TorsionCategory::swap

(

TorsionCategory &

cat

)

clear()

void CDPL::ConfGen::TorsionCategory::clear

(

)

---

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

• TorsionCategory.hpp