#include <MMFF94PartialBondChargeIncrementTable.hpp>
◆ SharedPointer
◆ ConstEntryIterator
◆ EntryIterator
◆ MMFF94PartialBondChargeIncrementTable()
CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::MMFF94PartialBondChargeIncrementTable |
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◆ addEntry()
void CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::addEntry |
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unsigned int |
atom_type, |
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double |
part_bond_chg_inc, |
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double |
form_chg_adj_factor |
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) |
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◆ getEntry()
const Entry& CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::getEntry |
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unsigned int |
atom_type | ) |
const |
◆ getNumEntries()
std::size_t CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::getNumEntries |
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const |
◆ clear()
void CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::clear |
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◆ removeEntry() [1/2]
bool CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::removeEntry |
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unsigned int |
atom_type | ) |
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◆ removeEntry() [2/2]
◆ getEntriesBegin() [1/2]
ConstEntryIterator CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::getEntriesBegin |
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const |
◆ getEntriesEnd() [1/2]
ConstEntryIterator CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::getEntriesEnd |
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const |
◆ getEntriesBegin() [2/2]
EntryIterator CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::getEntriesBegin |
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◆ getEntriesEnd() [2/2]
EntryIterator CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::getEntriesEnd |
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◆ begin() [1/2]
ConstEntryIterator CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::begin |
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const |
◆ end() [1/2]
◆ begin() [2/2]
EntryIterator CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::begin |
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◆ end() [2/2]
EntryIterator CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::end |
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◆ load()
void CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::load |
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std::istream & |
is | ) |
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◆ loadDefaults()
void CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::loadDefaults |
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◆ set()
static void CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::set |
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const SharedPointer & |
table | ) |
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static |
◆ get()
static const SharedPointer& CDPL::ForceField::MMFF94PartialBondChargeIncrementTable::get |
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static |
The documentation for this class was generated from the following file: