Ticket #38516: pymol-clang.diff
File pymol-clang.diff, 25.9 KB (added by howarth@…, 11 years ago) |
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layer0/ShaderMgr.c
void CShaderPrg_ReplaceStringsInPlace(Py 150 150 while (replaceStrings[i]){ 151 151 slen = strlen(replaceStrings[i]); 152 152 rlen = strlen(replaceStrings[i+1]); 153 while( rstr=strstr(dest_line, replaceStrings[i])){153 while((rstr=strstr(dest_line, replaceStrings[i]))){ 154 154 strcpy(tmp_line, rstr + slen); 155 155 strcpy(rstr, replaceStrings[i+1]); 156 156 strcpy(rstr+rlen, tmp_line); … … void CShaderPrg_BindAttribLocations(PyMO 488 488 if (I){ 489 489 GLenum err ; 490 490 glBindAttribLocation(I->id, VERTEX_POS, "a_Vertex"); 491 if ( err = glGetError()){491 if ((err = glGetError())){ 492 492 PRINTFB(G, FB_ShaderMgr, FB_Warnings) "GLERROR: a_Vertex: %d\n", err ENDFB(G); 493 493 } 494 494 glBindAttribLocation(I->id, VERTEX_NORMAL, "a_Normal"); 495 if ( err = glGetError()){495 if ((err = glGetError())){ 496 496 PRINTFB(G, FB_ShaderMgr, FB_Warnings) "GLERROR: a_Normal: %d\n", err ENDFB(G); 497 497 } 498 498 glBindAttribLocation(I->id, VERTEX_COLOR, "a_Color"); 499 if ( err = glGetError()){499 if ((err = glGetError())){ 500 500 PRINTFB(G, FB_ShaderMgr, FB_Warnings) "GLERROR: a_Color: %d\n", err ENDFB(G); 501 501 } 502 502 CShaderPrg_Link(I); … … void CShaderPrg_BindCylinderAttribLocati 510 510 if (I){ 511 511 GLenum err ; 512 512 glBindAttribLocation(I->id, CYLINDER_ORIGIN, "attr_origin"); 513 if ( err = glGetError()){513 if ((err = glGetError())){ 514 514 PRINTFB(G, FB_ShaderMgr, FB_Warnings) "GLERROR: attr_origin: %d\n", err ENDFB(G); 515 515 } 516 516 glBindAttribLocation(I->id, CYLINDER_AXIS, "attr_axis"); 517 if ( err = glGetError()){517 if ((err = glGetError())){ 518 518 PRINTFB(G, FB_ShaderMgr, FB_Warnings) "GLERROR: attr_axis: %d\n", err ENDFB(G); 519 519 } 520 520 glBindAttribLocation(I->id, CYLINDER_COLOR, "attr_color"); 521 if ( err = glGetError()){521 if ((err = glGetError())){ 522 522 PRINTFB(G, FB_ShaderMgr, FB_Warnings) "GLERROR: attr_color: %d\n", err ENDFB(G); 523 523 } 524 524 glBindAttribLocation(I->id, CYLINDER_COLOR2, "attr_color2"); 525 if ( err = glGetError()){525 if ((err = glGetError())){ 526 526 PRINTFB(G, FB_ShaderMgr, FB_Warnings) "GLERROR: attr_color2: %d\n", err ENDFB(G); 527 527 } 528 528 CShaderPrg_Link(I); … … void ShaderMgrConfig(PyMOLGlobals * G) { 842 842 if (indicatorShader){ 843 843 GLenum err ; 844 844 glBindAttribLocation(indicatorShader->id, VERTEX_POS, "a_Vertex"); 845 if ( err = glGetError()){845 if ((err = glGetError())){ 846 846 PRINTFB(G, FB_ShaderMgr, FB_Warnings) "GLERROR: a_Vertex: %d\n", err ENDFB(G); 847 847 } 848 848 glBindAttribLocation(indicatorShader->id, VERTEX_COLOR, "a_Color"); 849 if ( err = glGetError()){849 if ((err = glGetError())){ 850 850 PRINTFB(G, FB_ShaderMgr, FB_Warnings) "GLERROR: a_Color: %d\n", err ENDFB(G); 851 851 } 852 852 CShaderPrg_Link(indicatorShader); -
layer0/Tetsurf.c
static void TetsurfPurge(CTetsurf * II) 679 679 if(I->Tri) { 680 680 VLAFreeP(I->Tri); 681 681 } 682 if(I->PtLink); 683 { 682 if(I->PtLink) { 684 683 VLAFreeP(I->PtLink); 685 684 } 686 685 if(I->VertexCodes) { -
layer0/Map.c
int MapSetupExpress(MapType * I) 588 588 register int *link = I->Link; 589 589 register int st, flag; 590 590 register int *i_ptr3, *i_ptr4, *i_ptr5; 591 register int *e_list ;591 register int *e_list = NULL; 592 592 #ifdef _MemoryCache_ON 593 593 register int block_offset = I->block_base + cCache_map_elist_offset; 594 594 register int group_id = I->group_id; -
layer1/Basis.c
int BasisMakeMap(CBasis * I, int *vert2p 2868 2868 float ll; 2869 2869 CPrimitive *prm; 2870 2870 register int i; 2871 register int *tempRef ;2872 int n , h, q, x, y, z, j, k, l, e;2871 register int *tempRef = NULL; 2872 int n = 0, h, q, x, y, z, j, k, l, e; 2873 2873 int extra_vert = 0; 2874 2874 float p[3], dd[3], *d1, *d2, vd[3], cx[3], cy[3]; 2875 float *tempVertex ;2875 float *tempVertex = NULL; 2876 2876 float xs, ys; 2877 2877 int remapMode = true; /* remap mode means that some objects will span more 2878 2878 * than one voxel, so we have to worry about populating -
layer1/CGO.c
Z* ------------------------------------- 47 47 #define CLIP_NORMAL_VALUE(cv) ((cv>1.f) ? 127 : (cv < -1.f) ? -128 : pymol_roundf(((cv + 1.f)/2.f) * 255) - 128 ) 48 48 49 49 #define CHECK_GL_ERROR_OK(printstr) \ 50 if ( err = glGetError()){ \50 if ((err = glGetError())){ \ 51 51 PRINTFB(I->G, FB_CGO, FB_Errors) printstr, err ENDFB(I->G); \ 52 52 } 53 53 … … void CGOCountNumVerticesForScreen(CGO *I 2279 2279 *num_total_vertices = 0; 2280 2280 *num_total_indexes = 0; 2281 2281 2282 while( op = (CGO_MASK & CGO_read_int(pc))) {2282 while((op = (CGO_MASK & CGO_read_int(pc)))) { 2283 2283 save_pc = pc; 2284 2284 err = 0; 2285 2285 switch (op) { … … CGO *CGOOptimizeGLSLCylindersToVBOIndexe 4339 4339 GL_C_INT_TYPE *indexVals = 0; 4340 4340 int tot = 4 * 4 * 3 * num_total_cylinders; 4341 4341 short copyToLeftOver, copyColorToLeftOver, copyPickColorToLeftOver, copyAlphaToLeftOver, copyToReturnCGO ; 4342 float *org_originVals ;4342 float *org_originVals= NULL; 4343 4343 float *org_axisVals; 4344 4344 float *org_colorVals; 4345 4345 float *org_color2Vals = NULL; … … static void CGO_gl_draw_label(CCGORender 7101 7101 int texture_id = CGO_get_int(*pc); 7102 7102 float worldPos[4], screenMin[3], screenMax[3], textExtent[4]; 7103 7103 CShaderPrg * shaderPrg; 7104 int buf1 , buf2, attr_worldpos, attr_screenoffset, attr_texcoords;7104 int buf1 = 0, buf2 = 0, attr_worldpos, attr_screenoffset, attr_texcoords; 7105 7105 copy3f(*pc, worldPos); worldPos[3] = 1.f; 7106 7106 copy3f(*pc+3, screenMin); 7107 7107 copy3f(*pc+6, screenMax); … … static void CGO_gl_draw_texture(CCGORend 7142 7142 int texture_id = CGO_get_int(*pc); 7143 7143 float worldPos[4], screenMin[3], screenMax[3], textExtent[4]; 7144 7144 CShaderPrg * shaderPrg; 7145 int buf1 , buf2, attr_worldpos, attr_screenoffset, attr_texcoords;7145 int buf1 = 0, buf2 = 0, attr_worldpos, attr_screenoffset, attr_texcoords; 7146 7146 copy3f(*pc, worldPos); worldPos[3] = 1.f; 7147 7147 copy3f(*pc+3, screenMin); 7148 7148 copy3f(*pc+6, screenMax); … … int CGOCountNumberCustomCylinders(CGO *I 9528 9528 int CGOChangeShadersTo(CGO *I, int frommode, int tomode){ 9529 9529 register float *pc = I->op; 9530 9530 int op = 0, totops = 0; 9531 while( op = (CGO_MASK & CGO_read_int(pc))) {9531 while((op = (CGO_MASK & CGO_read_int(pc)))) { 9532 9532 totops++; 9533 9533 switch (op) { 9534 9534 case CGO_ENABLE: -
layer1/Ortho.c
void OrthoKey(PyMOLGlobals * G, unsigned 1014 1014 curLine = I->CurLine & OrthoSaveLines; 1015 1015 if(I->PromptChar) { 1016 1016 strcpy(buffer, I->Line[curLine]); 1017 if(PComplete(G, buffer + I->PromptChar, sizeof(OrthoLineType) - I->PromptChar)); /* just print, don't complete */1017 PComplete(G, buffer + I->PromptChar, sizeof(OrthoLineType) - I->PromptChar); /* just print, don't complete */ 1018 1018 } 1019 1019 } 1020 1020 break; … … void bg_grad(PyMOLGlobals * G) { 1394 1394 1395 1395 { 1396 1396 if (!I->bgCGO) { 1397 CGO *cgo = CGONew(G), *cgo2 ;1397 CGO *cgo = CGONew(G), *cgo2 = NULL; 1398 1398 ok &= CGOBegin(cgo, GL_TRIANGLE_STRIP); 1399 1399 if (ok) 1400 1400 ok &= CGOVertex(cgo, -1.f, -1.f, 0.98f); -
layer1/P.c
int PFlush(PyMOLGlobals * G) 2613 2613 /* don't run if we're currently banned */ 2614 2614 char *buffer = 0; 2615 2615 int size, curSize = 0; 2616 while( size = OrthoCommandOutSize(G)){2616 while((size = OrthoCommandOutSize(G))){ 2617 2617 if (!curSize){ 2618 2618 buffer = VLACalloc(char, size); 2619 2619 curSize = size; … … int PFlushFast(PyMOLGlobals * G) 2657 2657 int did_work = false; 2658 2658 char *buffer = 0; 2659 2659 int size, curSize = 0; 2660 while( size = OrthoCommandOutSize(G)){2660 while((size = OrthoCommandOutSize(G))){ 2661 2661 if (!curSize){ 2662 2662 buffer = VLACalloc(char, size); 2663 2663 curSize = size; -
layer1/Extrude.c
int ExtrudeCGOSurfaceTube(CExtrude * I, 753 753 float *v; 754 754 float *n; 755 755 float *c; 756 float *sv, *sn, *tv, *tn, *tv1, *tn1, *TV, *TN ;756 float *sv, *sn, *tv, *tn, *tv1, *tn1, *TV, *TN = NULL; 757 757 float v0[3]; 758 758 int start, stop; 759 759 int ok = true; … … int ExtrudeCGOSurfacePolygon(CExtrude * 1683 1683 float *v; 1684 1684 float *n; 1685 1685 float *c; 1686 float *sv, *sn, *tv, *tn, *tv1, *tn1, *TV, *TN ;1686 float *sv, *sn, *tv, *tn, *tv1, *tn1, *TV, *TN = NULL; 1687 1687 float v0[3]; 1688 1688 int ok = true; 1689 1689 … … int ExtrudeCGOSurfacePolygon(CExtrude * 1737 1737 for(b = 0; ok && b < I->Ns; b += 2) { 1738 1738 #ifdef _PYMOL_CGO_DRAWARRAYS 1739 1739 int nverts = 2*I->N, pl = 0, plc = 0, damode = CGO_VERTEX_ARRAY | CGO_NORMAL_ARRAY | CGO_PICK_COLOR_ARRAY, nxtn = 3; 1740 float *vertexVals , *normalVals, *colorVals = 0, *nxtVals = 0, *tmp_ptr;1740 float *vertexVals = NULL, *normalVals, *colorVals = 0, *nxtVals = 0, *tmp_ptr; 1741 1741 float *pickColorVals; 1742 1742 GLenum mode = GL_LINE_STRIP; 1743 1743 if(SettingGetGlobal_i(I->G, cSetting_cartoon_debug) < 1.5) … … int ExtrudeCGOSurfacePolygonTaper(CExtru 2048 2048 i = I->i; 2049 2049 if (ok){ 2050 2050 int nverts = 2*I->N, pl = 0, plc = 0, damode = CGO_VERTEX_ARRAY | CGO_NORMAL_ARRAY | CGO_PICK_COLOR_ARRAY, nxtn = 3; 2051 float *vertexVals , *normalVals, *colorVals = 0, *nxtVals = 0, *tmp_ptr;2051 float *vertexVals = NULL, *normalVals, *colorVals = 0, *nxtVals = 0, *tmp_ptr; 2052 2052 float *pickColorVals; 2053 2053 if (color_override) 2054 2054 ok &= CGOColorv(cgo, color_override); … … int ExtrudeCGOSurfaceStrand(CExtrude * I 2156 2156 float *v; 2157 2157 float *n; 2158 2158 float *c; 2159 float *sv, *sn, *tv, *tn, *tv1, *tn1, *TV, *TN ;2159 float *sv, *sn, *tv, *tn, *tv1, *tn1, *TV, *TN = NULL; 2160 2160 float v0[3], n0[3], s0[3], z[3] = { 1.0, 0.0, 1.0 }; 2161 2161 int subN; 2162 2162 int ok = true; -
layer1/Scene.c
void SceneUpdate(PyMOLGlobals * G, int f 7640 7640 /* update all gadgets first (single-threaded since they're thread-unsafe) */ 7641 7641 rec = NULL; 7642 7642 while(ListIterate(I->Obj, rec, next)) { 7643 if( (rec->obj->type == cObjectGadget)) {7643 if(rec->obj->type == cObjectGadget) { 7644 7644 if(rec->obj->fUpdate) 7645 7645 rec->obj->fUpdate(rec->obj); 7646 7646 } -
layer1/Control.c
static void ControlDraw(Block * block OR 637 637 but_bottom = y - (cControlBoxSize - 1); 638 638 but_height = cControlBoxSize; 639 639 640 if( (but_num == I->Active)) {640 if(but_num == I->Active) { 641 641 draw_button(but_left, but_bottom, 642 642 but_width, but_height, lightEdge, darkEdge, pushed ORTHOCGOARGVAR); 643 643 } else if(((but_num == 6) && (SettingGetGlobal_b(G, cSetting_seq_view))) || -
layer2/RepCylBond.c
Rep *RepCylBondNew(CoordSet * cs, int st 1998 1998 I->NSPC++; 1999 1999 } 2000 2000 2001 if(s2 && (!marked[b2]) && (!stick_ball_filter_single_atoms || (ord==1 || adjacent_atoms[a2] && adjacent_atoms[a2][0] > 1))) {2001 if(s2 && (!marked[b2]) && (!stick_ball_filter_single_atoms || (ord==1 || (adjacent_atoms[a2] && adjacent_atoms[a2][0] > 1)))) { 2002 2002 /* just once for each atom..., if stick_ball_filter is on, then only for atoms that have more than one adjacent atom */ 2003 2003 float vdw = 2004 2004 stick_ball_ratio * ((ati2->protons == cAN_H) ? bd_radius : bd_radius_full); -
layer2/RepSphere.c
static void RepSphereRender(RepSphere * 1991 1991 int a; 1992 1992 SphereRec *sp = I->SP; 1993 1993 float alpha; 1994 int n_quad_verts ;1995 float radius ;1994 int n_quad_verts = 0; 1995 float radius = 0.0; 1996 1996 int ok = true; 1997 1997 short use_shader = SettingGetGlobal_b(G, cSetting_sphere_use_shader) & 1998 1998 SettingGetGlobal_b(G, cSetting_use_shaders); -
layer2/ObjectMolecule2.c
int ObjectMoleculeNewFromPyList(PyMOLGlo 3678 3678 #else 3679 3679 int ok = true; 3680 3680 ObjectMolecule *I = NULL; 3681 int discrete_flag ;3681 int discrete_flag = 0; 3682 3682 int ll; 3683 3683 (*result) = NULL; 3684 3684 … … int ObjectMoleculeSort(ObjectMolecule * 4305 4305 register int a, b; 4306 4306 CoordSet *cs, **dcs; 4307 4307 AtomInfoType *atInfo; 4308 int *dAtmToIdx ;4308 int *dAtmToIdx = NULL; 4309 4309 int ok = true; 4310 4310 if(!I->DiscreteFlag) { /* currently, discrete objects are never sorted */ 4311 4311 int n_bytes = sizeof(int) * I->NAtom; -
layer2/RepDot.c
static void RepDotRender(RepDot * I, Ren 192 192 ok &= CGOColorv(cgo, v); 193 193 v += 3; 194 194 } 195 /* if(normals) /*NORMALS do not get set for points195 /* if(normals) NORMALS do not get set for points 196 196 CGONormalv(cgo, v);*/ 197 197 v += 3; 198 198 if (ok) … … static void RepDotRender(RepDot * I, Ren 210 210 I->shaderCGO = CGOOptimizeSpheresToVBONonIndexed(cgo, CGO_BOUNDING_BOX_SZ + CGO_DRAW_SPHERE_BUFFERS_SZ); 211 211 CHECKOK(ok, I->shaderCGO); 212 212 } else { 213 CGO *convertcgo = CGOCombineBeginEnd(cgo, 0), *tmpCGO ;213 CGO *convertcgo = CGOCombineBeginEnd(cgo, 0), *tmpCGO = NULL; 214 214 CHECKOK(ok, convertcgo); 215 215 if (ok) 216 216 tmpCGO = CGOOptimizeToVBONotIndexed(convertcgo, CGO_BOUNDING_BOX_SZ + I->N * 3 + 7); … … Rep *RepDotDoNew(CoordSet * cs, int mode 344 344 float *countPtr = NULL; 345 345 int colorCnt, lastColor; 346 346 Vector3f v1; 347 MapType *map ;347 MapType *map = NULL; 348 348 SphereRec *sp = G->Sphere->Sphere[0]; 349 349 int ds; 350 350 float max_vdw = MAX_VDW; -
layer2/RepSurface.c
static void RepSurfaceRender(RepSurface 3304 3304 if (ok) 3305 3305 convertcgo->use_shader = true; 3306 3306 } else if (I->Type == 2) { 3307 CGO *convertcgo2, *simple ;3307 CGO *convertcgo2, *simple = NULL; 3308 3308 convertcgo2 = CGOConvertLinesToShaderCylinders(I->shaderCGO, 0); 3309 3309 CHECKOK(ok, convertcgo2); 3310 3310 if (ok) … … static int SurfaceJobRun(PyMOLGlobals * 4503 4503 } 4504 4504 ok &= !G->Interrupt; 4505 4505 if(ok) { 4506 MapType *map, *solv_map ;4506 MapType *map, *solv_map = NULL; 4507 4507 map = MapNewFlagged(G, I->maxVdw + probe_rad_more, 4508 4508 I->coord, VLAGetSize(I->coord) / 3, NULL, NULL); 4509 4509 CHECKOK(ok, map); … … static SolventDot *SolventDotNew(PyMOLGl 5747 5747 SurfaceJobAtomInfo *j_atom_info = atom_info + j; 5748 5748 if(j > a) /* only check if this is atom trails */ 5749 5749 if((!present) || present[j]) { 5750 if( (j_atom_info->vdw == a_atom_info->vdw)) { /* handle singularities */5750 if(j_atom_info->vdw == a_atom_info->vdw) { /* handle singularities */ 5751 5751 float *v1 = coord + 3 * j; 5752 5752 if((v0[0] == v1[0]) && (v0[1] == v1[1]) && (v0[2] == v1[2])) 5753 5753 skip_flag = true; … … static SolventDot *SolventDotNew(PyMOLGl 5842 5842 SurfaceJobAtomInfo *j_atom_info = atom_info + j; 5843 5843 if(j > a) /* only check if this is atom trails */ 5844 5844 if((!present) || present[j]) { 5845 if( (j_atom_info->vdw == a_atom_info->vdw)) { /* handle singularities */5845 if(j_atom_info->vdw == a_atom_info->vdw) { /* handle singularities */ 5846 5846 float *v2 = coord + 3 * j; 5847 5847 if((v0[0] == v2[0]) && (v0[1] == v2[1]) && (v0[2] == v2[2])) 5848 5848 skip_flag = true; … … static SolventDot *SolventDotNew(PyMOLGl 6002 6002 SurfaceJobAtomInfo *j_atom_info = atom_info + j; 6003 6003 if(j > a) /* only check if this is atom trails */ 6004 6004 if((!present) || present[j]) { 6005 if( (j_atom_info->vdw == a_atom_info->vdw)) { /* handle singularities */6005 if(j_atom_info->vdw == a_atom_info->vdw) { /* handle singularities */ 6006 6006 float *v1 = coord + 3 * j; 6007 6007 if((v0[0] == v1[0]) && (v0[1] == v1[1]) && (v0[2] == v1[2])) 6008 6008 skip_flag = true; -
layer2/RepCartoon.c
CGO *GenerateRepCartoonCGO(CoordSet *cs, 2615 2615 2616 2616 #ifdef _PYMOL_CGO_DRAWARRAYS 2617 2617 int nverts = nAt * 4, pl = 0; 2618 float *vertexVals , *tmp_ptr;2618 float *vertexVals = NULL, *tmp_ptr; 2619 2619 if (ok) 2620 2620 vertexVals = CGODrawArrays(cgo, GL_LINES, CGO_VERTEX_ARRAY, nverts); 2621 2621 CHECKOK(ok, vertexVals); -
layer2/ObjectMolecule.c
CoordSet *ObjectMoleculeTOPStr2CoordSet( 1448 1448 int NPHIH, MPHIA, NHPARM, NPARM, NNB, NRES; 1449 1449 int NBONA, NTHETA, NPHIA, NUMBND, NUMANG, NPTRA; 1450 1450 int NATYP, NPHB, IFPERT, NBPER, NGPER, NDPER; 1451 int MBPER, MGPER, MDPER, IFBOX , NMXRS, IFCAP;1451 int MBPER, MGPER, MDPER, IFBOX = 0, NMXRS, IFCAP; 1452 1452 int NEXTRA, IPOL = 0; 1453 1453 int wid, col; 1454 1454 float BETA; … … CoordSet *ObjectMoleculeTOPStr2CoordSet( 2076 2076 2077 2077 if(IFBOX > 0) { 2078 2078 2079 int IPTRES, NSPM , NSPSOL;2079 int IPTRES, NSPM = 0, NSPSOL; 2080 2080 2081 2081 if(amber7) { 2082 2082 p = findflag(G, buffer, "SOLVENT_POINTERS", "3I8"); … … int ObjectMoleculeAttach(ObjectMolecule 4431 4431 AtomInfoType *ai; 4432 4432 int n, nn; 4433 4433 float v[3], v0[3], d; 4434 CoordSet *cs ;4434 CoordSet *cs = NULL; 4435 4435 int ok = true; 4436 4436 4437 4437 ok &= ObjectMoleculeUpdateNeighbors(I); … … int ObjectMoleculeMerge(ObjectMolecule * 9755 9755 CoordSet * cs, int bondSearchFlag, int aic_mask, int invalidate) 9756 9756 { 9757 9757 PyMOLGlobals *G = I->Obj.G; 9758 int *index, *outdex, *a2i, *i2a ;9758 int *index, *outdex, *a2i, *i2a = NULL; 9759 9759 BondType *bond = NULL; 9760 9760 register int a, b, lb = 0, ac; 9761 9761 int c, nb, a1, a2; … … void ObjectMoleculeSeleOp(ObjectMolecule 10539 10539 rms = MatrixFitRMSTTTf(G, op->nvv1, op->vv1, vt, NULL, op->ttt); 10540 10540 else 10541 10541 rms = MatrixGetRMS(G, op->nvv1, op->vv1, vt, NULL); 10542 if( (op->i1 == 2)) {10542 if(op->i1 == 2) { 10543 10543 ObjectMoleculeTransformTTTf(I, op->ttt, b); 10544 10544 10545 10545 if(op->i3) { -
layer3/Selector.c
static int SelectorSelect0(PyMOLGlobals 8615 8615 for(a = cNDummyAtoms; a < I->NAtom; a++) { 8616 8616 b = i_obj[i_table[a].model]->AtomInfo[i_table[a].atom].protons; 8617 8617 base[0].sele[a] = ( 8618 b > 2 && b < 5||8619 b > 10 && b < 14||8620 b > 18 && b < 32||8621 b > 36 && b < 51||8622 b > 54 && b < 85||8618 (b > 2 && b < 5) || 8619 (b > 10 && b < 14) || 8620 (b > 18 && b < 32) || 8621 (b > 36 && b < 51) || 8622 (b > 54 && b < 85) || 8623 8623 b > 86); 8624 8624 } 8625 8625 break; -
layer3/Executive.c
static int ExecutiveDrag(Block * block, 15915 15915 ExecutiveSpecSetVisibility(G, rec, true, mod, false); 15916 15916 I->LastChanged = rec; 15917 15917 } 15918 if( (mod == (cOrthoSHIFT | cOrthoCTRL))) {15918 if(mod == (cOrthoSHIFT | cOrthoCTRL)) { 15919 15919 if(rec != I->LastZoomed) 15920 15920 ExecutiveWindowZoom(G, rec->name, 0.0F, -1, false, -1.0F, 15921 15921 true); -
layer3/PlugIOManager.c
int PlugIOManagerLoadTraj(PyMOLGlobals * 225 225 ENDFB(G); 226 226 } 227 227 228 if( stop > 0 && cnt >= stop || max > 0 && ncnt >= max) {228 if((stop > 0 && cnt >= stop) || (max > 0 && ncnt >= max)) { 229 229 cs = NULL; 230 230 break; 231 231 } -
layer4/Cmd.c
static PyObject *CmdMapHalve(PyObject * 1846 1846 static PyObject *CmdGetRenderer(PyObject * self, PyObject * args) 1847 1847 { 1848 1848 PyMOLGlobals *G = NULL; 1849 char *vendor , *renderer, *version;1849 char *vendor = NULL, *renderer = NULL, *version = NULL; 1850 1850 int ok = false; 1851 1851 ok = PyArg_ParseTuple(args, "O", &self); 1852 1852 if(ok) { -
contrib/uiuc/plugins/molfile_plugin/src/pbeqplugin.cpp
static int read_pbeq_data(void *v, int s 259 259 int addr = z*nclx*ncly + y*nclx + x; 260 260 if (fread(datablock + addr, 4, 1, fd) != 1) { 261 261 printf("pbeqplugin) Error reading potential map cell: %d,%d,%d\n", x, y, z); 262 printf("pbeqplugin) offset: % d\n", ftell(fd));262 printf("pbeqplugin) offset: %ld\n", ftell(fd)); 263 263 return MOLFILE_ERROR; 264 264 } 265 265 count++; -
contrib/uiuc/plugins/molfile_plugin/src/moldenplugin.c
static void *open_molden_read(const char 99 99 const char *filetype, 100 100 int *natoms) { 101 101 FILE *fd; 102 qmdata_t *data ;102 qmdata_t *data = NULL; 103 103 moldendata_t *moldendata; 104 104 char buffer[1024]; 105 105 char keystring[20]; -
contrib/uiuc/plugins/molfile_plugin/src/gamessplugin.c
static void *open_gamess_read(const char 375 375 const char *filetype, int *natoms) { 376 376 377 377 FILE *fd; 378 qmdata_t *data ;378 qmdata_t *data = NULL; 379 379 gmsdata *gms; 380 380 381 381 /* open the input file */ -
contrib/uiuc/plugins/molfile_plugin/src/maeffplugin.cpp
namespace { 1983 1983 } 1984 1984 } 1985 1985 catch (std::exception &e) { 1986 fprintf(stderr, e.what());1986 fprintf(stderr, "%s", e.what()); 1987 1987 return MOLFILE_ERROR; 1988 1988 } 1989 1989 return MOLFILE_SUCCESS; -
contrib/uiuc/plugins/molfile_plugin/src/graspplugin.cpp
void Get_Property_Values(GRASSP *grassp, 104 104 105 105 ///ojo aqui le quite el ! 106 106 if ((grassp->flag)!=POTENTIALS) { 107 if (index >=0 && index<= 4)107 if (index <= 4) 108 108 printf("graspplugin) No data available for '%s' option\n", name[index]); 109 109 else 110 110 printf("graspplugin) out of range property, flag: %d index: %d\n", grassp->flag, index); -
modules/cealign/src/tnt/tnt_fortran_array1d.h
inline Fortran_Array1D<T> Fortran_Array1 221 221 #ifdef TNT_DEBUG 222 222 std::cout << "entered subarray. \n"; 223 223 #endif 224 if (( i0 > 0) && (i1 < n_) || (i0 <= i1))224 if (((i0 > 0) && (i1 < n_)) || (i0 <= i1)) 225 225 { 226 226 Fortran_Array1D<T> X(*this); /* create a new instance of this array. */ 227 227 X.n_ = i1-i0+1; -
modules/cealign/src/tnt/tnt_array1d.h
inline int Array1D<T>::ref_count() const 258 258 template <class T> 259 259 inline Array1D<T> Array1D<T>::subarray(int i0, int i1) 260 260 { 261 if (( i0 >= 0) && (i1 < n_) || (i0 <= i1))261 if (((i0 >= 0) && (i1 < n_)) || (i0 <= i1)) 262 262 { 263 263 Array1D<T> X(*this); /* create a new instance of this array. */ 264 264 X.n_ = i1-i0+1;