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object --+ | ??.instance --+ | PeriodicTable
A class which stores information from the Periodic Table. It is not possible to create a PeriodicTable object directly from Python, use GetPeriodicTable() to get the global table. The PeriodicTable object can be queried for a variety of properties: - GetAtomicWeight - GetAtomicNumber - GetElementSymbol - GetRvdw (van der Waals radius) - GetRCovalent (covalent radius) - GetDefaultValence - GetValenceList - GetNOuterElecs (number of valence electrons) When it makes sense, these can be queried using either an atomic number (integer) or an atomic symbol (string)
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Inherited from Inherited from |
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GetAtomicNumber( (PeriodicTable)arg1, (str)arg2) -> int : C++ signature : int GetAtomicNumber(RDKit::PeriodicTable {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
GetAtomicWeight( (PeriodicTable)arg1, (int)arg2) -> float : C++ signature : double GetAtomicWeight(RDKit::PeriodicTable {lvalue},unsigned int) GetAtomicWeight( (PeriodicTable)arg1, (str)arg2) -> float : C++ signature : double GetAtomicWeight(RDKit::PeriodicTable {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
GetDefaultValence( (PeriodicTable)arg1, (int)arg2) -> int : C++ signature : int GetDefaultValence(RDKit::PeriodicTable {lvalue},unsigned int) GetDefaultValence( (PeriodicTable)arg1, (str)arg2) -> int : C++ signature : int GetDefaultValence(RDKit::PeriodicTable {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
GetElementSymbol( (PeriodicTable)arg1, (int)arg2) -> str : C++ signature : std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > GetElementSymbol(RDKit::PeriodicTable {lvalue},unsigned int) |
GetNOuterElecs( (PeriodicTable)arg1, (int)arg2) -> int : C++ signature : int GetNOuterElecs(RDKit::PeriodicTable {lvalue},unsigned int) GetNOuterElecs( (PeriodicTable)arg1, (str)arg2) -> int : C++ signature : int GetNOuterElecs(RDKit::PeriodicTable {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
GetRcovalent( (PeriodicTable)arg1, (int)arg2) -> float : C++ signature : double GetRcovalent(RDKit::PeriodicTable {lvalue},unsigned int) GetRcovalent( (PeriodicTable)arg1, (str)arg2) -> float : C++ signature : double GetRcovalent(RDKit::PeriodicTable {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
GetRvdw( (PeriodicTable)arg1, (int)arg2) -> float : C++ signature : double GetRvdw(RDKit::PeriodicTable {lvalue},unsigned int) GetRvdw( (PeriodicTable)arg1, (str)arg2) -> float : C++ signature : double GetRvdw(RDKit::PeriodicTable {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
GetValenceList( (PeriodicTable)arg1, (int)arg2) -> _vecti : C++ signature : std::vector<int, std::allocator<int> > GetValenceList(RDKit::PeriodicTable {lvalue},unsigned int) GetValenceList( (PeriodicTable)arg1, (str)arg2) -> _vecti : C++ signature : std::vector<int, std::allocator<int> > GetValenceList(RDKit::PeriodicTable {lvalue},std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >) |
Raises an exception This class cannot be instantiated from Python
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helper for pickle
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