rdkit/Code/JavaWrappers/PeriodicTable_doc.i

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%typemap(javaimports) RDKit::PeriodicTable "
/** 
singleton class for retrieving information about atoms
<p>
Use the singleton like this:
<p>
    const PeriodicTable *tbl = PeriodicTable::getTable();
    tbl->getAtomicWeight(6); // get atomic weight for Carbon
    tbl->getAtomicWeight('C'); // get atomic weight for Carbon
    
 */"

%javamethodmodifiers RDKit::PeriodicTable::getAtomicWeight 	( 	char *  	elementSymbol 	 )  	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::PeriodicTable::getAtomicWeight 	( 	const std::string &  	elementSymbol 	 )  	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::PeriodicTable::getDefaultValence 	( 	char *  	elementSymbol 	 )  	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::PeriodicTable::getDefaultValence 	( 	const std::string &  	elementSymbol 	 )  	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::PeriodicTable::getNouterElecs 	( 	char *  	elementSymbol 	 )  	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::PeriodicTable::getNouterElecs 	( 	const std::string &  	elementSymbol 	 )  	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::PeriodicTable::getRb0 	( 	char *  	elementSymbol 	 )  	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::PeriodicTable::getRb0 	( 	const std::string &  	elementSymbol 	 )  	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::PeriodicTable::getRcovalent 	( 	char *  	elementSymbol 	 )  	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::PeriodicTable::getRcovalent 	( 	const std::string &  	elementSymbol 	 )  	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::PeriodicTable::getRvdw 	( 	char *  	elementSymbol 	 )  	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::PeriodicTable::getRvdw 	( 	const std::string &  	elementSymbol 	 )  	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::PeriodicTable::getValenceList 	( 	char *  	elementSymbol 	 )  	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::PeriodicTable::getValenceList 	( 	const std::string &  	elementSymbol 	 )  	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::PeriodicTable::getValenceList 	( 	UINT  	atomicNumber 	 )  	const "
/**
<p>
<p>
@return
a vector of all stable valences. For atoms where we really don't have any idea what a reasonable maximum valence is (like transition metals), the vector ends with -1
1
*/
public";

%javamethodmodifiers RDKit::PeriodicTable::moreElectroNegative 	( 	UINT  	anum1, 		UINT  	anum2	  	) 			const "
/**
<p>
convenience function to determine which atom is more electronegative
<p>
check if atom with atomic number anum1 is more electronegative than the one with anum2 this is rather lame but here is how we do it
<p>
    * the atom with the higher number of outer shell electrons is considered more electronegative
    * if the # of outer shell elecs are the same the atom with the lower atomic weight is more electronegative
<p>


*/
public";