diff --git a/work/compute.c b/../molden-6.9/work/molden6.9/src/surf/compute.c index dddcdc2..26f6f07 100644 --- a/work/compute.c +++ b/../molden-6.9/work/molden6.9/src/surf/compute.c @@ -23,6 +23,9 @@ Vector Bounding_Tetra[4]; double Extents[3][2]; short Neighbor_list[MAX_CONSTRAINT]; +void find_components(int atom_id, Vector *cons); +void find_tes_origin(int atom_id, Vector *cons); +void compute_components(int atom_id, Vector *constraints); /*--------------------------------------------------------------------------------- init_and_compute initializes the data structures and starts off the computation. ----------------------------------------------------------------------------------*/ @@ -202,7 +205,7 @@ compute_bounding_tetra() compute_components is in some sense the central routine. This makes calls to others for computing the surface. ----------------------------------------------------------------------------------*/ -compute_components(atom_id, constraints) +void compute_components(atom_id, constraints) int atom_id; Vector *constraints; { @@ -582,7 +585,7 @@ find_components identifies the arcs formed by the intersection of the feasible c with the extended-radius sphere of atom atom_id and accordingly makes appropriate calls to generates the patches. ----------------------------------------------------------------------------------*/ -find_components(atom_id, cons) +void find_components(atom_id, cons) int atom_id; Vector *cons; { @@ -627,7 +630,7 @@ This assumes that int_pts, end_pts, etc, are in local coord system (the origin of the system is the center of the atom atom_id). This returns tes_origin in global coord system. ----------------------------------------------------------------------------------*/ -find_tes_origin(atom_id, cons) +void find_tes_origin(atom_id, cons) int atom_id; Vector *cons; { diff --git a/work/tessel_concave.c b/../molden-6.9/work/molden6.9/src/surf/tessel_concave.c index 8ae5606..5f6324b 100644 --- a/work/tessel_concave.c +++ b/../molden-6.9/work/molden6.9/src/surf/tessel_concave.c @@ -8,7 +8,11 @@ spherical triangular patches of the molecular surface. #include "surf.h" +void gen_spherical_recurse(VertexType **points, double *sq_side_len, float *center, double radius, int convex); +void gen_cuspy_concave_tri(VertexType point0, VertexType point1, VertexType point2, int flip, POINT center, double radius, Vector *plane_eq); + +void gen_cuspy_spherical_recurse(VertexType **points, double *sq_side_len, float *center, Vector *plane_eq, double radius); /*-------------------------------------------------------------------------------- gen_concave generates a concave spherical triangular patch of the molecular surface. At present it can only handle simple cusps -- those which are due to two concave @@ -105,7 +109,7 @@ double radius; gen_cuspy_concave_tri generates a concave spherical triangular patch which might have a cusp. ----------------------------------------------------------------------------------*/ -gen_cuspy_concave_tri(point0, point1, point2, flip, center, radius, plane_eq) +void gen_cuspy_concave_tri(point0, point1, point2, flip, center, radius, plane_eq) VertexType point0, point1, point2; int flip; POINT center; @@ -161,7 +165,7 @@ gen_cuspy_spherical_recurse generates a spherical triangular patch which might h cusp. This recursively subdivides the patch while clipping it with its intersection with plane represented by plane_eq. ----------------------------------------------------------------------------------*/ -gen_cuspy_spherical_recurse(points, sq_side_len, center, plane_eq, radius) +void gen_cuspy_spherical_recurse(points, sq_side_len, center, plane_eq, radius) VertexType *points[3]; double sq_side_len[3]; float center[3]; @@ -285,7 +289,7 @@ int convex; gen_spherical_recurse generates a spherical triangular patch by recursively subdividing till all its edge lengths are below a user specified threshold. ----------------------------------------------------------------------------------*/ -gen_spherical_recurse(points, sq_side_len, center, radius, convex) +void gen_spherical_recurse(points, sq_side_len, center, radius, convex) VertexType *points[3]; float center[3]; double radius; diff --git a/work/tessel_convex.c b/../molden-6.9/work/molden6.9/src/surf/tessel_convex.c index db592c9..76a6f7e 100644 --- a/work/tessel_convex.c +++ b/../molden-6.9/work/molden6.9/src/surf/tessel_convex.c @@ -15,7 +15,7 @@ gen_convex generates convex spherical patches that join torus ends to the regular atom surface. Here, p = sph_pts, q = tor_pts ----------------------------------------------------------------------------------*/ -gen_convex(comp_verts, p, probe_centers, q, num_p, num_q, same_order, flip, atom_id, full_torus) +void gen_convex(comp_verts, p, probe_centers, q, num_p, num_q, same_order, flip, atom_id, full_torus) POINT *comp_verts, *probe_centers; VertexType *p, *q; int num_p, num_q; diff --git a/work/tessel_torus.c b/../molden-6.9/work/molden6.9/src/surf/tessel_torus.c index e386335..55e3355 100644 --- a/work/tessel_torus.c +++ b/../molden-6.9/work/molden6.9/src/surf/tessel_torus.c @@ -151,7 +151,7 @@ int atom_id; gen_torus is used to smoothly tessellate the toroidal patches. radius : how "thick" the torus is (Probe Radius for us) ----------------------------------------------------------------------------------*/ -gen_torus(tor_pts, probe_centers, num_verts, flip, radius, cusp) +void gen_torus(tor_pts, probe_centers, num_verts, flip, radius, cusp) VertexType **tor_pts; POINT *probe_centers; int num_verts;