BALL
1.4.79
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Classes | |
class | BALL::SmartsParser |
class | BALL::SmartsParser::SPBond |
Bond representation of the smarts parser. More... | |
class | BALL::SmartsParser::SPAtom |
Smarts Parser Atom class. More... | |
union | BALL::SmartsParser::SPAtom::PropertyValue |
possible types of the properties More... | |
struct | BALL::SmartsParser::SPAtom::Property |
Property struct of smarts parser atom. More... | |
class | BALL::SmartsParser::SPEdge |
Edge representation of the smarts parser graph. More... | |
class | BALL::SmartsParser::SPNode |
Representation of a node in the smarts parser graph. More... | |
struct | BALL::SmartsParser::State |
Parser state (used by the parser itself) More... | |
chiral class definitions CW = clock wise, CCW = counter clock wise
Definition at line 48 of file smartsParser.h.
The logical operator supported by SMARTS-pattern
'&' -> and
',' -> or
';' -> low precedence and
NOOP is just provided for convenience.
Enumerator | |
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AND | |
OR | |
AND_LOW | |
NOOP |
Definition at line 86 of file smartsParser.h.
enum of all properties possible for a smarts parser atom
Enumerator | |
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ISOTOPE | |
CHARGE | |
AROMATIC | |
ALIPHATIC | |
IN_NUM_RINGS | |
IN_RING_SIZE | |
IN_BRACKETS | |
CONNECTED | |
EXPLICIT_HYDROGENS | |
VALENCE | |
IMPLICIT_HYDROGENS | |
DEGREE | |
RING_CONNECTED | |
CHIRALITY | |
SYMBOL |
Definition at line 193 of file smartsParser.h.
the bond orders supported by SMARTS-patterns
Enumerator | |
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SINGLE | |
SINGLE_UP | |
SINGLE_UP_OR_ANY | |
SINGLE_DOWN | |
SINGLE_DOWN_OR_ANY | |
SINGLE_OR_AROMATIC | |
AROMATIC | |
DOUBLE | |
TRIPLE | |
NOT_NECESSARILY_CONNECTED | |
IN_RING | |
ANY |
Definition at line 110 of file smartsParser.h.
Enumerator | |
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ANY_ZE | |
NONE | |
Z | |
E |
Definition at line 39 of file smartsParser.h.