#include <BALL/STRUCTURE/smilesParser.h>
List of all members.
Constructor & Destructor Documentation
BALL::SmilesParser::SPAtom::SPAtom |
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const String & |
symbol, |
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bool |
in_brackets |
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) |
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virtual BALL::SmilesParser::SPAtom::~SPAtom |
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[virtual] |
Member Function Documentation
Size BALL::SmilesParser::SPAtom::countRealValences |
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const |
const ChiralDef& BALL::SmilesParser::SPAtom::getChirality |
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const [inline] |
Size BALL::SmilesParser::SPAtom::getDefaultValence |
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const |
Index BALL::SmilesParser::SPAtom::getFormalCharge |
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const [inline] |
Return the atom's formal charge.
Reimplemented from BALL::Atom.
Size BALL::SmilesParser::SPAtom::getIsotope |
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const [inline] |
bool BALL::SmilesParser::SPAtom::isAromatic |
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const [inline] |
bool BALL::SmilesParser::SPAtom::isInBrackets |
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const [inline] |
void BALL::SmilesParser::SPAtom::setAromatic |
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bool |
is_aromatic | ) |
[inline] |
void BALL::SmilesParser::SPAtom::setChirality |
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const ChiralDef & |
chirality | ) |
[inline] |
void BALL::SmilesParser::SPAtom::setFormalCharge |
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Index |
formal_charge | ) |
[inline] |
Set the atom's formal charge.
Reimplemented from BALL::Atom.
void BALL::SmilesParser::SPAtom::setInBrackets |
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bool |
in_brackets | ) |
[inline] |
void BALL::SmilesParser::SPAtom::setIsotope |
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Size |
isotope | ) |
[inline] |
Member Data Documentation