Attachment #765818 for bug #834033

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Lines 23-28 Vector Bounding_Tetra[4]; Link Here

(-)a/work/compute.c (-3 / +6 lines)
23	double Extents[3][2];	23	double Extents[3][2];
24	short Neighbor_list[MAX_CONSTRAINT];	24	short Neighbor_list[MAX_CONSTRAINT];
25		25
		26	void find_components(int atom_id, Vector *cons);
		27	void find_tes_origin(int atom_id, Vector *cons);
		28	void compute_components(int atom_id, Vector *constraints);
26	/*---------------------------------------------------------------------------------	29	/*---------------------------------------------------------------------------------
27	init_and_compute initializes the data structures and starts off the computation.	30	init_and_compute initializes the data structures and starts off the computation.
28	----------------------------------------------------------------------------------*/	31	----------------------------------------------------------------------------------*/
Lines 202-208 compute_bounding_tetra() Link Here
202	compute_components is in some sense the central routine. This makes calls to others	205	compute_components is in some sense the central routine. This makes calls to others
203	for computing the surface.	206	for computing the surface.
204	----------------------------------------------------------------------------------*/	207	----------------------------------------------------------------------------------*/
205	compute_components(atom_id, constraints)	208	void compute_components(atom_id, constraints)
206	int atom_id;	209	int atom_id;
207	Vector *constraints;	210	Vector *constraints;
208	{	211	{
Lines 582-588 find_components identifies the arcs formed by the intersection of the feasible c Link Here
582	with the extended-radius sphere of atom atom_id and accordingly makes appropriate	585	with the extended-radius sphere of atom atom_id and accordingly makes appropriate
583	calls to generates the patches.	586	calls to generates the patches.
584	----------------------------------------------------------------------------------*/	587	----------------------------------------------------------------------------------*/
585	find_components(atom_id, cons)	588	void find_components(atom_id, cons)
586	int atom_id;	589	int atom_id;
587	Vector *cons;	590	Vector *cons;
588	{	591	{
Lines 627-633 This assumes that int_pts, end_pts, etc, are in local coord system Link Here
627	(the origin of the system is the center of the atom atom_id).	630	(the origin of the system is the center of the atom atom_id).
628	This returns tes_origin in global coord system.	631	This returns tes_origin in global coord system.
629	----------------------------------------------------------------------------------*/	632	----------------------------------------------------------------------------------*/
630	find_tes_origin(atom_id, cons)	633	void find_tes_origin(atom_id, cons)
631	int atom_id;	634	int atom_id;
632	Vector *cons;	635	Vector *cons;
633	{	636	{

Lines 8-14 spherical triangular patches of the molecular surface. Link Here

(-)a/work/tessel_concave.c (-3 / +7 lines)
8		8
9	#include "surf.h"	9	#include "surf.h"
10		10
		11	void gen_spherical_recurse(VertexType *points, double sq_side_len, float *center, double radius, int convex);
11		12
		13	void gen_cuspy_concave_tri(VertexType point0, VertexType point1, VertexType point2, int flip, POINT center, double radius, Vector *plane_eq);
		14
		15	void gen_cuspy_spherical_recurse(VertexType *points, double sq_side_len, float center, Vector plane_eq, double radius);
12	/*--------------------------------------------------------------------------------	16	/*--------------------------------------------------------------------------------
13	gen_concave generates a concave spherical triangular patch of the molecular surface.	17	gen_concave generates a concave spherical triangular patch of the molecular surface.
14	At present it can only handle simple cusps -- those which are due to two concave	18	At present it can only handle simple cusps -- those which are due to two concave
Lines 105-111 double radius; Link Here
105	gen_cuspy_concave_tri generates a concave spherical triangular patch which might	109	gen_cuspy_concave_tri generates a concave spherical triangular patch which might
106	have a cusp.	110	have a cusp.
107	----------------------------------------------------------------------------------*/	111	----------------------------------------------------------------------------------*/
108	gen_cuspy_concave_tri(point0, point1, point2, flip, center, radius, plane_eq)	112	void gen_cuspy_concave_tri(point0, point1, point2, flip, center, radius, plane_eq)
109	VertexType point0, point1, point2;	113	VertexType point0, point1, point2;
110	int flip;	114	int flip;
111	POINT center;	115	POINT center;
Lines 161-167 gen_cuspy_spherical_recurse generates a spherical triangular patch which might h Link Here
161	cusp. This recursively subdivides the patch while clipping it with its intersection	165	cusp. This recursively subdivides the patch while clipping it with its intersection
162	with plane represented by plane_eq.	166	with plane represented by plane_eq.
163	----------------------------------------------------------------------------------*/	167	----------------------------------------------------------------------------------*/
164	gen_cuspy_spherical_recurse(points, sq_side_len, center, plane_eq, radius)	168	void gen_cuspy_spherical_recurse(points, sq_side_len, center, plane_eq, radius)
165	VertexType *points[3];	169	VertexType *points[3];
166	double sq_side_len[3];	170	double sq_side_len[3];
167	float center[3];	171	float center[3];
Lines 285-291 int convex; Link Here
285	gen_spherical_recurse generates a spherical triangular patch by recursively	289	gen_spherical_recurse generates a spherical triangular patch by recursively
286	subdividing till all its edge lengths are below a user specified threshold.	290	subdividing till all its edge lengths are below a user specified threshold.
287	----------------------------------------------------------------------------------*/	291	----------------------------------------------------------------------------------*/
288	gen_spherical_recurse(points, sq_side_len, center, radius, convex)	292	void gen_spherical_recurse(points, sq_side_len, center, radius, convex)
289	VertexType *points[3];	293	VertexType *points[3];
290	float center[3];	294	float center[3];
291	double radius;	295	double radius;

Lines 15-21 gen_convex generates convex spherical patches that join torus ends to the Link Here

(-)a/work/tessel_convex.c (-1 / +1 lines)
15	regular atom surface.	15	regular atom surface.
16	Here, p = sph_pts, q = tor_pts	16	Here, p = sph_pts, q = tor_pts
17	----------------------------------------------------------------------------------*/	17	----------------------------------------------------------------------------------*/
18	gen_convex(comp_verts, p, probe_centers, q, num_p, num_q, same_order, flip, atom_id, full_torus)	18	void gen_convex(comp_verts, p, probe_centers, q, num_p, num_q, same_order, flip, atom_id, full_torus)
19	POINT comp_verts, probe_centers;	19	POINT comp_verts, probe_centers;
20	VertexType p, q;	20	VertexType p, q;
21	int num_p, num_q;	21	int num_p, num_q;

Lines 151-157 int atom_id; Link Here

(-)a/work/tessel_torus.c (-1 / +1 lines)
151	gen_torus is used to smoothly tessellate the toroidal patches.	151	gen_torus is used to smoothly tessellate the toroidal patches.
152	radius : how "thick" the torus is (Probe Radius for us)	152	radius : how "thick" the torus is (Probe Radius for us)
153	----------------------------------------------------------------------------------*/	153	----------------------------------------------------------------------------------*/
154	gen_torus(tor_pts, probe_centers, num_verts, flip, radius, cusp)	154	void gen_torus(tor_pts, probe_centers, num_verts, flip, radius, cusp)
155	VertexType **tor_pts;	155	VertexType **tor_pts;
156	POINT *probe_centers;	156	POINT *probe_centers;
157	int num_verts;	157	int num_verts;

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