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object --+
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??.instance --+
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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)
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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)
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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})
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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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