The RigidCLL library
AtomPair Class ReferencePair of atoms identifiers. More...
Detailed DescriptionPairs of atom identifiers returned when detecting nearby atoms. Definition at line 101 of file RigidCLL.h. Constructor & Destructor DocumentationDefines a new AtomPair.
Definition at line 129 of file RigidCLL.cpp. References a1, a2, d2, AtomInfo::id, r1, r2, and AtomInfo::rID. Member Function Documentation
Function to sort the output of the interaction detection.
Definition at line 138 of file RigidCLL.cpp.
Function to compare the output of the interaction detection. This is only used when comparing the output of the algorihtms.
Definition at line 162 of file RigidCLL.cpp. Field Documentation
Identifier of the first atom (as given by the caller when inserting the atom). Definition at line 103 of file RigidCLL.h. Referenced by AtomPair(), operator<(), operator<<(), and operator==().
Identifier for rigid group including the first atom. Definition at line 104 of file RigidCLL.h. Referenced by AtomPair(), and operator<<().
Identifier of the second atom (as given by the caller when inserting the atom). Definition at line 105 of file RigidCLL.h. Referenced by AtomPair(), operator<(), operator<<(), and operator==().
Identifier for rigid group including the second atom. Definition at line 106 of file RigidCLL.h. Referenced by AtomPair(), and operator<<().
Squared distance between the atoms Definition at line 107 of file RigidCLL.h. Referenced by AtomPair(), and operator<<(). The documentation for this class was generated from the following files: |
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