#include <TorsionCategory.hpp>
◆ CategoryIterator
◆ ConstCategoryIterator
◆ RuleIterator
◆ ConstRuleIterator
◆ TorsionCategory()
CDPL::ConfGen::TorsionCategory::TorsionCategory |
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◆ ~TorsionCategory()
virtual CDPL::ConfGen::TorsionCategory::~TorsionCategory |
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inlinevirtual |
◆ getName()
const std::string& CDPL::ConfGen::TorsionCategory::getName |
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const |
◆ setName()
void CDPL::ConfGen::TorsionCategory::setName |
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const std::string & |
name | ) |
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◆ getMatchPatternString()
const std::string& CDPL::ConfGen::TorsionCategory::getMatchPatternString |
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const |
◆ setMatchPatternString()
void CDPL::ConfGen::TorsionCategory::setMatchPatternString |
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const std::string & |
ptn_str | ) |
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◆ getMatchPattern()
◆ setMatchPattern()
◆ getBondAtom1Type()
unsigned int CDPL::ConfGen::TorsionCategory::getBondAtom1Type |
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const |
◆ setBondAtom1Type()
void CDPL::ConfGen::TorsionCategory::setBondAtom1Type |
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unsigned int |
type | ) |
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◆ getBondAtom2Type()
unsigned int CDPL::ConfGen::TorsionCategory::getBondAtom2Type |
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const |
◆ setBondAtom2Type()
void CDPL::ConfGen::TorsionCategory::setBondAtom2Type |
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unsigned int |
type | ) |
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◆ addCategory() [1/2]
◆ addCategory() [2/2]
◆ addRule() [1/2]
TorsionRule& CDPL::ConfGen::TorsionCategory::addRule |
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◆ addRule() [2/2]
◆ getNumCategories()
std::size_t CDPL::ConfGen::TorsionCategory::getNumCategories |
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bool |
recursive = false | ) |
const |
◆ getNumRules()
std::size_t CDPL::ConfGen::TorsionCategory::getNumRules |
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bool |
recursive = false | ) |
const |
◆ getCategory() [1/2]
TorsionCategory& CDPL::ConfGen::TorsionCategory::getCategory |
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std::size_t |
idx | ) |
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◆ getCategory() [2/2]
const TorsionCategory& CDPL::ConfGen::TorsionCategory::getCategory |
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std::size_t |
idx | ) |
const |
◆ getRule() [1/2]
TorsionRule& CDPL::ConfGen::TorsionCategory::getRule |
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std::size_t |
idx | ) |
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◆ getRule() [2/2]
const TorsionRule& CDPL::ConfGen::TorsionCategory::getRule |
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std::size_t |
idx | ) |
const |
◆ removeCategory() [1/2]
void CDPL::ConfGen::TorsionCategory::removeCategory |
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std::size_t |
idx | ) |
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◆ removeRule() [1/2]
void CDPL::ConfGen::TorsionCategory::removeRule |
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std::size_t |
idx | ) |
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◆ removeCategory() [2/2]
void CDPL::ConfGen::TorsionCategory::removeCategory |
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const CategoryIterator & |
it | ) |
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◆ removeRule() [2/2]
void CDPL::ConfGen::TorsionCategory::removeRule |
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const RuleIterator & |
it | ) |
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◆ getCategoriesBegin() [1/2]
◆ getCategoriesEnd() [1/2]
◆ getCategoriesBegin() [2/2]
◆ getCategoriesEnd() [2/2]
◆ getRulesBegin() [1/2]
RuleIterator CDPL::ConfGen::TorsionCategory::getRulesBegin |
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◆ getRulesEnd() [1/2]
RuleIterator CDPL::ConfGen::TorsionCategory::getRulesEnd |
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◆ getRulesBegin() [2/2]
◆ getRulesEnd() [2/2]
◆ swap()
◆ clear()
void CDPL::ConfGen::TorsionCategory::clear |
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The documentation for this class was generated from the following file: