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object --+ | ??.instance --+ | IdealBondLengthSet
A set of Elements This class contains a vector of pointers each of which points to an Element and the vector index is looked up by an element_name string in a map.
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Inherited from Inherited from |
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__instance_size__ = 32
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Inherited from |
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__init__( (object)arg1) -> None : C++ signature : void __init__(_object*) __init__( (object)arg1, (IdealBondLengthSet)) -> None : A set of Elements This class contains a vector of pointers each of which points to an Element and the vector index is looked up by an element_name string in a map. C++ signature : void __init__(_object*,core::chemical::IdealBondLengthSet)
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helper for pickle
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contains_bond_length( (IdealBondLengthSet)arg1, (str)atom_type_name1, (str)atom_type_name2) -> bool : Check if an ideal bond length is known for this pair of atom types... C++ signature : bool contains_bond_length(core::chemical::IdealBondLengthSet {lvalue},std::string,std::string) contains_bond_length( (IdealBondLengthSet)arg1, (int)atom_type_index1, (int)atom_type_index2) -> bool : core/chemical/IdealBondLengthSet.hh:56 C++ signature : bool contains_bond_length(core::chemical::IdealBondLengthSet {lvalue},int,int) |
get_bond_length( (IdealBondLengthSet)arg1, (str)atom_type_name1, (str)atom_type_name2) -> float : Lookup the element index by the element_symbol string C++ signature : double get_bond_length(core::chemical::IdealBondLengthSet {lvalue},std::string,std::string) get_bond_length( (IdealBondLengthSet)arg1, (int)atom_type_index1, (int)atom_type_index2) -> float : core/chemical/IdealBondLengthSet.hh:60 C++ signature : double get_bond_length(core::chemical::IdealBondLengthSet {lvalue},int,int) |
print_all_bond_lengths( (IdealBondLengthSet)arg1) -> None : Print all of the symbols of all of the Elements in the set. Usefull for debuging. C++ signature : void print_all_bond_lengths(core::chemical::IdealBondLengthSet {lvalue}) |
read_file( (IdealBondLengthSet)arg1, (str)filename) -> None : Load the IdealBondLengthSet from a file C++ signature : void read_file(core::chemical::IdealBondLengthSet {lvalue},std::string) |
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