#include <TorsionRuleMatcher.hpp>
◆ ConstMatchIterator
◆ TorsionRuleMatcher() [1/2]
CDPL::ConfGen::TorsionRuleMatcher::TorsionRuleMatcher |
( |
| ) |
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◆ TorsionRuleMatcher() [2/2]
◆ findUniqueMappingsOnly() [1/2]
void CDPL::ConfGen::TorsionRuleMatcher::findUniqueMappingsOnly |
( |
bool |
unique | ) |
|
◆ findUniqueMappingsOnly() [2/2]
bool CDPL::ConfGen::TorsionRuleMatcher::findUniqueMappingsOnly |
( |
| ) |
const |
◆ findAllRuleMappings() [1/2]
void CDPL::ConfGen::TorsionRuleMatcher::findAllRuleMappings |
( |
bool |
all | ) |
|
◆ findAllRuleMappings() [2/2]
bool CDPL::ConfGen::TorsionRuleMatcher::findAllRuleMappings |
( |
| ) |
const |
◆ stopAtFirstMatchingRule() [1/2]
void CDPL::ConfGen::TorsionRuleMatcher::stopAtFirstMatchingRule |
( |
bool |
stop | ) |
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◆ stopAtFirstMatchingRule() [2/2]
bool CDPL::ConfGen::TorsionRuleMatcher::stopAtFirstMatchingRule |
( |
| ) |
const |
◆ setTorsionLibrary()
◆ getTorsionLibrary()
◆ getNumMatches()
std::size_t CDPL::ConfGen::TorsionRuleMatcher::getNumMatches |
( |
| ) |
const |
Returns the number of stored torsion rule matches found by calls to findMatches().
- Returns
- The number of stored torsion rule matches.
◆ getMatch()
const TorsionRuleMatch& CDPL::ConfGen::TorsionRuleMatcher::getMatch |
( |
std::size_t |
idx | ) |
const |
Returns a const
reference to the stored torsion rule match object at index idx.
- Parameters
-
idx | The zero-based index of the torsion rule match object to return. |
- Returns
- A
const
reference to the torsion rule match object at index idx.
- Exceptions
-
◆ getMatchesBegin()
Returns a constant iterator pointing to the beginning of the stored torsion rule matches.
- Returns
- A constant iterator pointing to the beginning of the stored torsion rule matches.
◆ getMatchesEnd()
Returns a constant iterator pointing to the end of the stored torsion rule matches.
- Returns
- A constant iterator pointing to the end of the stored torsion rule matches.
◆ begin()
Returns a constant iterator pointing to the beginning of the stored torsion rule matches.
- Returns
- A constant iterator pointing to the beginning of the stored torsion rule matches.
◆ end()
Returns a constant iterator pointing to the end of the stored torsion rule matches.
- Returns
- A constant iterator pointing to the end of the stored torsion rule matches.
◆ findMatches()
The documentation for this class was generated from the following file: