42 proshade_unsign noStructures;
43 proshade_signed verbose;
46 std::vector < proshade_double > enLevs;
47 std::vector < proshade_double > trSigm;
48 std::vector < proshade_double > rotFun;
51 std::vector< proshade_double* > RecomSymAxes;
52 std::vector < std::vector< proshade_double > > allCSymAxes;
55 std::vector < proshade_signed* > originalBounds;
56 std::vector < proshade_signed* > reboxedBounds;
57 std::vector < proshade_double* > manipulatedMaps;
60 std::vector < proshade_double > eulerAngles;
61 std::vector < proshade_double > coordRotationCentre;
62 std::vector < proshade_double > overlayTranslation;
65 std::string symRecommType;
66 proshade_unsign symRecommFold;
67 std::vector< proshade_double > mapCOMShift;
71 void setRecommendedSymmetry ( std::string val );
72 void setRecommendedFold ( proshade_unsign val );
73 void setRecommendedAxis ( proshade_double* sym );
80 #if defined ( _WIN64 ) || defined ( _WIN32 )
99 #if defined ( _WIN64 ) || defined ( _WIN32 )
110 #if defined ( _WIN64 ) || defined ( _WIN32 )
113 std::vector< std::string > __declspec(dllexport)
getSymmetryAxis ( proshade_unsign axisNo );
114 std::vector < std::vector< proshade_double > > __declspec(dllexport)
getAllCSyms (
void );
120 std::vector < std::vector< proshade_double > >
getAllCSyms (
void );
125 #if defined ( _WIN64 ) || defined ( _WIN32 )
126 std::vector< proshade_signed > __declspec(dllexport)
getOriginalBounds ( proshade_unsign strNo );
127 std::vector< proshade_signed > __declspec(dllexport)
getReBoxedBounds ( proshade_unsign strNo );
128 proshade_double __declspec(dllexport)
getMapValue ( proshade_unsign strNo, proshade_unsign mapIndex );
132 proshade_double
getMapValue ( proshade_unsign strNo, proshade_unsign mapIndex );
136 #if defined ( _WIN64 ) || defined ( _WIN32 )
137 std::vector< proshade_double > __declspec(dllexport)
getEulerAngles (
void );
138 std::vector< proshade_double > __declspec(dllexport)
getOptimalRotMat (
void );
151 #if defined ( _WIN64 ) || defined ( _WIN32 )