#include <MMFF94HeavyToHydrogenAtomTypeMap.hpp>
◆ SharedPointer
◆ ConstEntryIterator
◆ EntryIterator
◆ Entry
◆ MMFF94HeavyToHydrogenAtomTypeMap()
CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::MMFF94HeavyToHydrogenAtomTypeMap |
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◆ addEntry()
void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::addEntry |
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const std::string & |
parent_type, |
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const std::string & |
hyd_type |
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) |
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◆ getEntry()
const std::string& CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntry |
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const std::string & |
parent_type | ) |
const |
◆ getNumEntries()
std::size_t CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getNumEntries |
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const |
◆ clear()
void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::clear |
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◆ removeEntry() [1/2]
bool CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::removeEntry |
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const std::string & |
parent_type | ) |
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◆ removeEntry() [2/2]
◆ getEntriesBegin() [1/2]
ConstEntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntriesBegin |
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const |
◆ getEntriesEnd() [1/2]
ConstEntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntriesEnd |
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const |
◆ getEntriesBegin() [2/2]
EntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntriesBegin |
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◆ getEntriesEnd() [2/2]
EntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntriesEnd |
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◆ begin() [1/2]
◆ end() [1/2]
◆ begin() [2/2]
EntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::begin |
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◆ end() [2/2]
EntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::end |
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◆ load()
void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::load |
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std::istream & |
is | ) |
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◆ loadDefaults()
void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::loadDefaults |
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◆ set()
static void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::set |
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const SharedPointer & |
map | ) |
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static |
◆ get()
static const SharedPointer& CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::get |
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The documentation for this class was generated from the following file: