--- trunk/src/utils/MoLocator.hpp 2005/04/12 21:28:07 483 +++ trunk/src/utils/MoLocator.hpp 2005/04/15 22:04:00 507 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -53,23 +53,23 @@ namespace oopse { #include "math/Vector3.hpp" #include "UseTheForce/ForceField.hpp" namespace oopse { -//convert lattice vector to rotation matrix -double getAtomMass(const std::string& at, ForceField* myFF); -double getMolMass(MoleculeStamp *molStamp, ForceField *myFF); -RotMat3x3d latVec2RotMat(const Vector3d& lv); -class MoLocator{ - public: - MoLocator( MoleculeStamp* theStamp, ForceField* theFF); - void placeMol( const Vector3d& offset, const Vector3d& ort, Molecule* mol); - private: - void calcRef( void ); - MoleculeStamp* myStamp; + //convert lattice vector to rotation matrix + double getAtomMass(const std::string& at, ForceField* myFF); + double getMolMass(MoleculeStamp *molStamp, ForceField *myFF); + RotMat3x3d latVec2RotMat(const Vector3d& lv); + class MoLocator{ + public: + MoLocator( MoleculeStamp* theStamp, ForceField* theFF); + void placeMol( const Vector3d& offset, const Vector3d& ort, Molecule* mol); + private: + void calcRef( void ); + MoleculeStamp* myStamp; - ForceField* myFF; - std::vector refCoords; - int nIntegrableObjects; + ForceField* myFF; + std::vector refCoords; + int nIntegrableObjects; -}; + }; } #endif