Idx variants

libdistopia/include/distopia.h

@@ -31,6 +31,21 @@ namespace distopia {
     template <typename T> void CalcSelfDistanceArrayNoBox(const T *a, int n, T *out);
     template <typename T> void CalcSelfDistanceArrayOrtho(const T *a, int n, const T *box, T *out);
     template <typename T> void CalcSelfDistanceArrayTriclinic(const T *a, int n, const T *box, T *out);
+    template <typename T> void CalcBondsNoBoxIdx(const T *coords, const int *a_idx, const int *b_idx, int n, T *out);
+    template <typename T> void CalcBondsOrthoIdx(const T *coords, const int *a_idx, const int *b_idx, int n, const T *box, T *out);
+    template <typename T> void CalcBondsTriclinicIdx(const T *coords, const int *a_idx, const int *b_idx, int n, const T *box, T *out);
+    template <typename T> void CalcAnglesNoBoxIdx(const T *coords, const int *a_idx, const int *b_idx, const int *c_idx, int n, T *out);
+    template <typename T> void CalcAnglesOrthoIdx(const T *coords, const int *a_idx, const int *b_idx, const int *c_idx, int n, const T *box, T *out);
+    template <typename T> void CalcAnglesTriclinicIdx(const T *coords, const int *a_idx, const int *b_idx, const int *c_idx, int n, const T *box, T *out);
+    template <typename T> void CalcDihedralsNoBoxIdx(const T *coords, const int *a_idx, const int *b_idx, const int *c_idx, const int *d_idx, int n, T *out);
+    template <typename T> void CalcDihedralsOrthoIdx(const T *coords, const int *a_idx, const int *b_idx, const int *c_idx, const int *d_idx, int n, const T *box, T *out);
+    template <typename T> void CalcDihedralsTriclinicIdx(const T *coords, const int *a_idx, const int *b_idx, const int *c_idx, const int *d_idx, int n, const T *box, T *out);
+    template <typename T> void CalcDistanceArrayNoBoxIdx(const T *coords, const int *a_idx, const int *b_idx, int na, int nb, T *out);
+    template <typename T> void CalcDistanceArrayOrthoIdx(const T *coords, const int *a_idx, const int *b_idx, int na, int nb, const T *box, T *out);
+    template <typename T> void CalcDistanceArrayTriclinicIdx(const T *coords, const int *a_idx, const int *b_idx, int na, int nb, const T *box, T *out);
+    template <typename T> void CalcSelfDistanceArrayNoBoxIdx(const T *coords, const int *idx, int n, T *out);
+    template <typename T> void CalcSelfDistanceArrayOrthoIdx(const T *coords, const int *idx, int n, const T *box, T *out);
+    template <typename T> void CalcSelfDistanceArrayTriclinicIdx(const T *coords, const int *idx, int n, const T *box, T *out);
     int GetNFloatLanes();
     int GetNDoubleLanes();
     std::vector<std::string> DistopiaSupportedAndGeneratedTargets();