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_signed* > originalBounds;
52 std::vector < proshade_signed* > reboxedBounds;
53 std::vector < proshade_double* > manipulatedMaps;
56 std::vector < proshade_double > eulerAngles;
57 std::vector < proshade_double > coordRotationCentre;
58 std::vector < proshade_double > overlayTranslation;
61 std::string symRecommType;
62 proshade_unsign symRecommFold;
63 std::vector< proshade_double* > RecomSymAxes;
64 std::vector < std::vector< proshade_double > > allCSymAxes;
65 std::vector< proshade_double > mapCOMShift;
69 void setRecommendedSymmetry ( std::string val );
70 void setRecommendedFold ( proshade_unsign val );
71 void setRecommendedAxis ( proshade_double* sym );
75 #if defined ( _WIN64 ) || defined ( _WIN32 )
94 #if defined ( _WIN64 ) || defined ( _WIN32 )
105 #if defined ( _WIN64 ) || defined ( _WIN32 )
108 std::vector< std::string > __declspec(dllexport)
getSymmetryAxis ( proshade_unsign axisNo );
109 std::vector < std::vector< proshade_double > > __declspec(dllexport)
getAllCSyms (
void );
115 std::vector < std::vector< proshade_double > >
getAllCSyms (
void );
120 #if defined ( _WIN64 ) || defined ( _WIN32 )
121 std::vector< proshade_signed > __declspec(dllexport)
getOriginalBounds ( proshade_unsign strNo );
122 std::vector< proshade_signed > __declspec(dllexport)
getReBoxedBounds ( proshade_unsign strNo );
123 proshade_double __declspec(dllexport)
getMapValue ( proshade_unsign strNo, proshade_unsign mapIndex );
127 proshade_double
getMapValue ( proshade_unsign strNo, proshade_unsign mapIndex );
131 #if defined ( _WIN64 ) || defined ( _WIN32 )
132 std::vector< proshade_double > __declspec(dllexport)
getEulerAngles (
void );
133 std::vector< proshade_double > __declspec(dllexport)
getOptimalRotMat (
void );
146 #if defined ( _WIN64 ) || defined ( _WIN32 )