is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.
| ObjectMap.cpp (pymol-v2.1.0.tar.bz2) | : | ObjectMap.cpp (pymol-open-source-2.2.0) |
|---|
| | |
| skipping to change at line 1787 | | skipping to change at line 1787 |
|---|
| { | | { |
| ObjectStatePurge(&I->State); | | ObjectStatePurge(&I->State); |
| if(I->Field) { | | if(I->Field) { |
| IsosurfFieldFree(G, I->Field); | | IsosurfFieldFree(G, I->Field); |
| I->Field = NULL; | | I->Field = NULL; |
| } | | } |
| FreeP(I->Origin); | | FreeP(I->Origin); |
| FreeP(I->Dim); | | FreeP(I->Dim); |
| FreeP(I->Range); | | FreeP(I->Range); |
| FreeP(I->Grid); | | FreeP(I->Grid); |
|
| | CGOFree(I->shaderCGO); |
| | |
| if(I->Symmetry) { | | if(I->Symmetry) { |
| SymmetryFree(I->Symmetry); | | SymmetryFree(I->Symmetry); |
| I->Symmetry = NULL; | | I->Symmetry = NULL; |
| } | | } |
| | |
| I->Active = false; | | I->Active = false; |
| } | | } |
| | |
| static void ObjectMapFree(ObjectMap * I) | | static void ObjectMapFree(ObjectMap * I) |
| | |
| skipping to change at line 1828 | | skipping to change at line 1829 |
|---|
| static void ObjectMapInvalidate(ObjectMap * I, int rep, int level, int state) | | static void ObjectMapInvalidate(ObjectMap * I, int rep, int level, int state) |
| { | | { |
| if(level >= cRepInvExtents) { | | if(level >= cRepInvExtents) { |
| I->Obj.ExtentFlag = false; | | I->Obj.ExtentFlag = false; |
| } | | } |
| if((rep < 0) || (rep == cRepDot)) { | | if((rep < 0) || (rep == cRepDot)) { |
| int a; | | int a; |
| for(a = 0; a < I->NState; a++) { | | for(a = 0; a < I->NState; a++) { |
| if(I->State[a].Active) | | if(I->State[a].Active) |
| I->State[a].have_range = false; | | I->State[a].have_range = false; |
|
| | CGOFree(I->State[a].shaderCGO); |
| } | | } |
| } | | } |
| SceneInvalidate(I->Obj.G); | | SceneInvalidate(I->Obj.G); |
| } | | } |
| | |
|
| | /* Has no prototype */ |
| | static CGO* ObjectMapCGOGenerate(PyMOLGlobals *G, float* corner) |
| | { |
| | int ok = true; |
| | CGO *convertCGO = NULL; |
| | CGO *shaderCGO = CGONewSized(G, 0); |
| | CGOBegin(shaderCGO, GL_LINES); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 0); |
| | CGOVertexv(shaderCGO, corner + 3 * 1); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 0); |
| | CGOVertexv(shaderCGO, corner + 3 * 2); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 2); |
| | CGOVertexv(shaderCGO, corner + 3 * 3); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 1); |
| | CGOVertexv(shaderCGO, corner + 3 * 3); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 0); |
| | CGOVertexv(shaderCGO, corner + 3 * 4); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 1); |
| | CGOVertexv(shaderCGO, corner + 3 * 5); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 2); |
| | CGOVertexv(shaderCGO, corner + 3 * 6); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 3); |
| | CGOVertexv(shaderCGO, corner + 3 * 7); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 4); |
| | CGOVertexv(shaderCGO, corner + 3 * 5); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 4); |
| | CGOVertexv(shaderCGO, corner + 3 * 6); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 6); |
| | CGOVertexv(shaderCGO, corner + 3 * 7); |
| | |
| | CGOVertexv(shaderCGO, corner + 3 * 5); |
| | CGOVertexv(shaderCGO, corner + 3 * 7); |
| | |
| | CGOEnd(shaderCGO); |
| | |
| | CGOStop(shaderCGO); |
| | |
| | convertCGO = CGOCombineBeginEnd(shaderCGO, 0); |
| | CHECKOK(ok, convertCGO); |
| | CGOFree(shaderCGO); |
| | |
| | shaderCGO = convertCGO; |
| | if (ok) |
| | convertCGO = CGOOptimizeToVBONotIndexedWithReturnedData(shaderCGO, 0, 0, NUL |
| | L); |
| | else |
| | return NULL; |
| | CHECKOK(ok, convertCGO); |
| | if (!ok) |
| | return NULL; |
| | CGOFree(shaderCGO); |
| | shaderCGO = convertCGO; |
| | |
| | shaderCGO->use_shader = true; |
| | |
| | return shaderCGO; |
| | } |
| | |
| static void ObjectMapRender(ObjectMap * I, RenderInfo * info) | | static void ObjectMapRender(ObjectMap * I, RenderInfo * info) |
| { | | { |
| PyMOLGlobals *G = I->Obj.G; | | PyMOLGlobals *G = I->Obj.G; |
| int state = info->state; | | int state = info->state; |
| CRay *ray = info->ray; | | CRay *ray = info->ray; |
| Picking **pick = info->pick; | | Picking **pick = info->pick; |
| int pass = info->pass; | | int pass = info->pass; |
| ObjectMapState *ms = NULL; | | ObjectMapState *ms = NULL; |
| | |
| if(pass) | | if(pass) |
| | |
| skipping to change at line 1854 | | skipping to change at line 1924 |
|---|
| | |
| for(StateIterator iter(G, I->Obj.Setting, state, I->NState); | | for(StateIterator iter(G, I->Obj.Setting, state, I->NState); |
| iter.next();) { | | iter.next();) { |
| state = iter.state; | | state = iter.state; |
| if(I->State[state].Active) | | if(I->State[state].Active) |
| ms = &I->State[state]; | | ms = &I->State[state]; |
| | |
| if(ms) { | | if(ms) { |
| float *corner = ms->Corner; | | float *corner = ms->Corner; |
| float tr_corner[24]; | | float tr_corner[24]; |
|
| ObjectPrepareContext(&I->Obj, ray); | | ObjectPrepareContext(&I->Obj, info); |
| | |
| if(ms->State.Matrix) { /* transform the corners before drawing */ | | if(ms->State.Matrix) { /* transform the corners before drawing */ |
| int a; | | int a; |
| for(a = 0; a < 8; a++) { | | for(a = 0; a < 8; a++) { |
| transform44d3f(ms->State.Matrix, corner + 3 * a, tr_corner + 3 * a); | | transform44d3f(ms->State.Matrix, corner + 3 * a, tr_corner + 3 * a); |
| } | | } |
| corner = tr_corner; | | corner = tr_corner; |
| } | | } |
| | |
| if((I->Obj.visRep & cRepExtentBit)) { | | if((I->Obj.visRep & cRepExtentBit)) { |
| if(ray) { | | if(ray) { |
|
| float *vc; | | const float *vc; |
| float radius = ray->PixelRadius / 1.4142F; | | float radius = ray->PixelRadius / 1.4142F; |
| vc = ColorGet(G, I->Obj.Color); | | vc = ColorGet(G, I->Obj.Color); |
| ray->color3fv(vc); | | ray->color3fv(vc); |
| ray->sausage3fv(corner + 3 * 0, corner + 3 * 1, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 0, corner + 3 * 1, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 0, corner + 3 * 2, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 0, corner + 3 * 2, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 2, corner + 3 * 3, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 2, corner + 3 * 3, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 1, corner + 3 * 3, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 1, corner + 3 * 3, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 0, corner + 3 * 4, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 0, corner + 3 * 4, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 1, corner + 3 * 5, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 1, corner + 3 * 5, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 2, corner + 3 * 6, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 2, corner + 3 * 6, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 3, corner + 3 * 7, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 3, corner + 3 * 7, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 4, corner + 3 * 5, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 4, corner + 3 * 5, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 4, corner + 3 * 6, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 4, corner + 3 * 6, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 6, corner + 3 * 7, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 6, corner + 3 * 7, radius, vc, vc); |
| ray->sausage3fv(corner + 3 * 5, corner + 3 * 7, radius, vc, vc); | | ray->sausage3fv(corner + 3 * 5, corner + 3 * 7, radius, vc, vc); |
| } else if(G->HaveGUI && G->ValidContext) { | | } else if(G->HaveGUI && G->ValidContext) { |
| if(pick) { | | if(pick) { |
|
| } else { | | #ifndef PURE_OPENGL_ES_2 |
| | } else if (!info->use_shaders) { |
| | // immediate |
| ObjectUseColor(&I->Obj); | | ObjectUseColor(&I->Obj); |
| glDisable(GL_LIGHTING); | | glDisable(GL_LIGHTING); |
| glBegin(GL_LINES); | | glBegin(GL_LINES); |
| glVertex3fv(corner + 3 * 0); | | glVertex3fv(corner + 3 * 0); |
| glVertex3fv(corner + 3 * 1); | | glVertex3fv(corner + 3 * 1); |
| | |
| glVertex3fv(corner + 3 * 0); | | glVertex3fv(corner + 3 * 0); |
| glVertex3fv(corner + 3 * 2); | | glVertex3fv(corner + 3 * 2); |
| | |
| glVertex3fv(corner + 3 * 2); | | glVertex3fv(corner + 3 * 2); |
| | |
| skipping to change at line 1926 | | skipping to change at line 1998 |
|---|
| glVertex3fv(corner + 3 * 6); | | glVertex3fv(corner + 3 * 6); |
| | |
| glVertex3fv(corner + 3 * 6); | | glVertex3fv(corner + 3 * 6); |
| glVertex3fv(corner + 3 * 7); | | glVertex3fv(corner + 3 * 7); |
| | |
| glVertex3fv(corner + 3 * 5); | | glVertex3fv(corner + 3 * 5); |
| glVertex3fv(corner + 3 * 7); | | glVertex3fv(corner + 3 * 7); |
| | |
| glEnd(); | | glEnd(); |
| glEnable(GL_LIGHTING); | | glEnable(GL_LIGHTING); |
|
| | } else { |
| | #endif |
| | // shader |
| | if (!ms->shaderCGO) { |
| | ms->shaderCGO = ObjectMapCGOGenerate(G, corner); |
| | } |
| | |
| | if (ms->shaderCGO) { |
| | CShaderPrg* shaderPrg = G->ShaderMgr->Enable_DefaultShader(info->p |
| | ass); |
| | if (shaderPrg) { |
| | shaderPrg->SetLightingEnabled(0); |
| | |
| | CGORenderGL(ms->shaderCGO, ColorGet(G, I->Obj.Color), |
| | NULL, NULL, info, NULL); |
| | shaderPrg->Disable(); |
| | } |
| | } |
| } | | } |
| } | | } |
| } | | } |
| | |
| if((I->Obj.visRep & cRepDotBit)) { | | if((I->Obj.visRep & cRepDotBit)) { |
| if(!ms->have_range) { | | if(!ms->have_range) { |
| double sum = 0.0, sumsq = 0.0; | | double sum = 0.0, sumsq = 0.0; |
| CField *data = ms->Field->data; | | CField *data = ms->Field->data; |
| int cnt = data->dim[0] * data->dim[1] * data->dim[2]; | | int cnt = data->dim[0] * data->dim[1] * data->dim[2]; |
| float *raw_data = (float *) data->data; | | float *raw_data = (float *) data->data; |
| | |
| skipping to change at line 1988 | | skipping to change at line 2077 |
|---|
| float width = | | float width = |
| SettingGet_f(G, NULL, I->Obj.Setting, cSetting_dot_width); | | SettingGet_f(G, NULL, I->Obj.Setting, cSetting_dot_width); |
| | |
| if(ray) { | | if(ray) { |
| float radius = ray->PixelRadius * width / 1.4142F; | | float radius = ray->PixelRadius * width / 1.4142F; |
| float vc[3]; | | float vc[3]; |
| int color = I->Obj.Color; | | int color = I->Obj.Color; |
| int ramped = ColorCheckRamped(G, I->Obj.Color); | | int ramped = ColorCheckRamped(G, I->Obj.Color); |
| | |
| { | | { |
|
| float *tmp = ColorGet(G, I->Obj.Color); | | const float *tmp = ColorGet(G, I->Obj.Color); |
| copy3f(tmp, vc); | | copy3f(tmp, vc); |
| } | | } |
| | |
| for(a = 0; a < cnt; a++) { | | for(a = 0; a < cnt; a++) { |
| float f_val = *(raw_data++); | | float f_val = *(raw_data++); |
| RAW_POINT_TRANSFORM(raw_point_ptr, raw_point); | | RAW_POINT_TRANSFORM(raw_point_ptr, raw_point); |
| if((f_val >= high_cut) || (f_val <= low_cut)) { | | if((f_val >= high_cut) || (f_val <= low_cut)) { |
| if(ramped) { | | if(ramped) { |
| ColorGetRamped(G, color, raw_point, vc, state); | | ColorGetRamped(G, color, raw_point, vc, state); |
| ray->color3fv(vc); | | ray->color3fv(vc); |
| } | | } |
| ray->sphere3fv(raw_point, radius); | | ray->sphere3fv(raw_point, radius); |
| } | | } |
| } | | } |
| } else if(G->HaveGUI && G->ValidContext) { | | } else if(G->HaveGUI && G->ValidContext) { |
| if(pick) { | | if(pick) { |
|
| } else { | | } else if (ALWAYS_IMMEDIATE_OR(!info->use_shaders)) { |
| if(gradients) { | | if(gradients) { |
| raw_gradient = (float *) gradients->data; | | raw_gradient = (float *) gradients->data; |
| } else { | | } else { |
| glDisable(GL_LIGHTING); | | glDisable(GL_LIGHTING); |
| } | | } |
| { | | { |
| int ramped = ColorCheckRamped(G, I->Obj.Color); | | int ramped = ColorCheckRamped(G, I->Obj.Color); |
| float vc[3]; | | float vc[3]; |
| int color = I->Obj.Color; | | int color = I->Obj.Color; |
| float gt[3]; | | float gt[3]; |
| | | |
| End of changes. 9 change blocks. |
|---|
| 5 lines changed or deleted | | 96 lines changed or added |
|---|
"Fossies" - the Fresh Open Source Software Archive 