Package rosetta :: Package core :: Package chemical :: Module _core_chemical_ :: Class IdealBondLengthSet
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Class IdealBondLengthSet

 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.

Instance Methods [hide private]
 
__init__(...)
__init__( (object)arg1) -> None :
 
__reduce__(...)
helper for pickle
 
contains_bond_length(...)
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...
 
get_bond_length(...)
get_bond_length( (IdealBondLengthSet)arg1, (str)atom_type_name1, (str)atom_type_name2) -> float : Lookup the element index by the element_symbol string
 
print_all_bond_lengths(...)
print_all_bond_lengths( (IdealBondLengthSet)arg1) -> None : Print all of the symbols of all of the Elements in the set.
 
read_file(...)
read_file( (IdealBondLengthSet)arg1, (str)filename) -> None : Load the IdealBondLengthSet from a file

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables [hide private]
  __instance_size__ = 32
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(...)
(Constructor)

 

__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)

Overrides: object.__init__

__reduce__(...)

 

helper for pickle

Overrides: object.__reduce__
(inherited documentation)

contains_bond_length(...)

 

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(...)

 

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(...)

 

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(...)

 

read_file( (IdealBondLengthSet)arg1, (str)filename) -> None :
    Load the IdealBondLengthSet from a file
    

    C++ signature :
        void read_file(core::chemical::IdealBondLengthSet {lvalue},std::string)