Bond_doc.i

/* 
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%typemap(javaimports) RDKit::Bond "
/** 
class for representing a bond
<p>
<p>
@notes
<li>many of the methods of Atom require that the Atom be associated with a molecule (an ROMol).
<li>each Bond maintains a Dict of properties:
<li>o Each property is keyed by name and can store an arbitrary type.
<li>o Properties can be marked as calculated, in which case they will be cleared when the clearComputedProps() method is called.
<li>o Because they have no impact upon chemistry, all property operations are const, this allows extra flexibility for clients who need to store extra data on Bond objects.
 */"

%javamethodmodifiers RDKit::Bond::clearProp 	( 	const std::string  	key 	 )  	const "
/**
<p>
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
*/
public";

%javamethodmodifiers RDKit::Bond::clearProp 	( 	const char *  	key 	 )  	const "
/**
<p>
clears the value of a property
<p>
<p>
@notes
<li>if no property with name key exists, a KeyErrorException will be thrown.
<li>if the property is marked as computed, it will also be removed from our list of computedProperties

*/
public";

%javamethodmodifiers RDKit::Bond::copy 	( 		 )  	const "
/**
<p>
<p>
@return
a copy
<p>
@notes
Reimplemented in RDKit::QueryBond.
*/
public";

%javamethodmodifiers RDKit::Bond::getBeginAtom 	( 		 )  	const"
/**
<p>
<p>
@return
a pointer to our begin Atom
<p>
@notes
<li>requires an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::getBeginAtomIdx 	( 		 )  	const "
/**
<p>
<p>
@return
the index of our begin Atom
<p>
@notes
<li>this makes no sense if we do not have an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::getEndAtom 	( 		 )  	const"
/**
<p>
<p>
@return
a pointer to our end Atom
<p>
@notes
<li>requires an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::getEndAtomIdx 	( 		 )  	const "
/**
<p>
<p>
@return
the index of our end Atom
<p>
@notes
<li>this makes no sense if we do not have an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::getIdx 	( 		 )  	const "
/**
<p>
<p>
@return
our index within the ROMol
<p>
@notes
<li>this makes no sense if we do not have an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::getOtherAtom 	( 	Atom const *  	what 	 )  	const"
/**
<p>
<p>
@return
a pointer to the other Atom
<p>
@notes
<li>requires an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::getOtherAtomIdx 	( 	unsigned int  	thisIdx 	 )  	const"
/**
<p>
given the index of one Atom, returns the index of the other
<p>
<p>
@notes
<li>this makes no sense if we do not have an owning molecule
template<typename T >
*/
public";

%javamethodmodifiers RDKit::Bond::getProp 	( 	const std::string  	key, 		T &  	res	  	) 			const "
/**
<p>
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<typename T >
*/
public";

%javamethodmodifiers RDKit::Bond::getProp 	( 	const char *  	key, 		T &  	res	  	) 			const "
/**
<p>
allows retrieval of a particular property value
<p>
<p>
@param
key 	the name under which the property should be stored. If a property is already stored under this name, it will be replaced.
res 	a reference to the storage location for the value.
<p>
@notes
<li>if no property with name key exists, a KeyErrorException will be thrown.
<li>the boost::lexical_cast machinery is used to attempt type conversions. If this fails, a boost::bad_lexical_cast exception will be thrown.

*/
public";

%javamethodmodifiers RDKit::Bond::getStereoAtoms 	( 		 )  	"
/**
<p>
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
*/
public";

%javamethodmodifiers RDKit::Bond::getValenceContrib 	( 	const Atom *  	at 	 )  	const"
/**
<p>
<p>
@return
our contribution to the explicit valence of an Atom
<p>
@notes
<li>requires an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::hasProp 	( 	const std::string  	key 	 )  	const "
/**
<p>
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
*/
public";

%javamethodmodifiers RDKit::Bond::Match 	( 	const Bond::BOND_SPTR  	what 	 )  	const "
/**
<p>
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
<p>
Reimplemented in RDKit::QueryBond.
*/
public";

%javamethodmodifiers RDKit::Bond::Match 	( 	Bond const *  	what 	 )  	const "
/**
<p>
<p>
@return
whether or not we match the argument
<p>
@notes
<li>for Bond objects, 'match' means that either one of the Bonds has bondType Bond::UNSPECIFIED or both Bonds have the same bondType.
Reimplemented in RDKit::QueryBond.
*/
public";

%javamethodmodifiers RDKit::Bond::setBeginAtom 	( 	Atom::ATOM_SPTR  	at 	 )  	"
/**
<p>
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
*/
public";

%javamethodmodifiers RDKit::Bond::setBeginAtom 	( 	Atom *  	at 	 )  	"
/**
<p>
sets our begin Atom
<p>
<p>
@notes
<li>requires an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::setBeginAtomIdx 	( 	unsigned int  	what 	 )  	"
/**
<p>
sets the index of our begin Atom
<p>
<p>
@notes
<li>requires an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::setEndAtom 	( 	Atom::ATOM_SPTR  	at 	 )  	"
/**
<p>
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
*/
public";

%javamethodmodifiers RDKit::Bond::setEndAtom 	( 	Atom *  	at 	 )  	"
/**
<p>
sets our end Atom
<p>
<p>
@notes
<li>requires an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::setEndAtomIdx 	( 	unsigned int  	what 	 )  	"
/**
<p>
sets the index of our end Atom
<p>
<p>
@notes
<li>requires an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::setIdx 	( 	unsigned int  	index 	 )  	"
/**
<p>
sets our index within the ROMol
<p>
<p>
@notes
<li>this makes no sense if we do not have an owning molecule
<li>the index should be < this->getOwningMol()->getNumBonds()
template<typename T >
*/
public";

%javamethodmodifiers RDKit::Bond::setProp 	( 	const std::string  	key, 		T  	val, 		bool  	computed = false	  	) 			const "
/**
<p>
This is an overloaded member function, provided for convenience. It differs from the above function only in what argument(s) it accepts.
template<typename T >
*/
public";

%javamethodmodifiers RDKit::Bond::setProp 	( 	const char *  	key, 		T  	val, 		bool  	computed = false	  	) 			const "
/**
<p>
sets a property value
<p>
<p>
@param
key 	the name under which the property should be stored. If a property is already stored under this name, it will be replaced.
val 	the value to be stored
computed 	(optional) allows the property to be flagged computed.

*/
public";

%javamethodmodifiers RDKit::Bond::updatePropertyCache 	( 	bool  	strict = true 	 )  	"
/**
<p>
calculates any of our lazy properties
<p>
<p>
@notes
<li>requires an owning molecule

*/
public";

%javamethodmodifiers RDKit::Bond::updatePropertyCache 	( 	bool  	strict = true 	 )  	"
/**
<p>
calculates any of our lazy properties
<p>
<p>
@notes
<li>requires an owning molecule

*/
public";