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.
| RepSphere.cpp (pymol-open-source-2.2.0) | : | RepSphere.cpp (pymol-open-source-2.3.0) |
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| | |
| skipping to change at line 59 | | skipping to change at line 59 |
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| 2) rectangles with constant size relative to vdw and scene scale (i.e., chang
es when zoomed) | | 2) rectangles with constant size relative to vdw and scene scale (i.e., chang
es when zoomed) |
| maxed by a multiple of sphere_point_max_size (set it below 1 to see it inf
luence, 3*pixel_scale max) | | maxed by a multiple of sphere_point_max_size (set it below 1 to see it inf
luence, 3*pixel_scale max) |
| 3) same as 2 but with circles | | 3) same as 2 but with circles |
| 4) no longer available | | 4) no longer available |
| 5) Uses the fast ARB Shader that approximates spheres as circles | | 5) Uses the fast ARB Shader that approximates spheres as circles |
| 6-8) same as 1-3 but with normals computed from close atoms to mimic nice lig
hting | | 6-8) same as 1-3 but with normals computed from close atoms to mimic nice lig
hting |
| 9) GLSL Shader Spheres (only when shaders are available) | | 9) GLSL Shader Spheres (only when shaders are available) |
| | |
| */ | | */ |
| | |
|
| void RepSphereFree(RepSphere * I); | | static |
| int RepSphereSameVis(RepSphere * I, CoordSet * cs); | | |
| | | |
| void RepSphereFree(RepSphere * I) | | void RepSphereFree(RepSphere * I) |
| { | | { |
| if (I->primitiveCGO == I->renderCGO) { | | if (I->primitiveCGO == I->renderCGO) { |
| I->primitiveCGO = 0; | | I->primitiveCGO = 0; |
| } | | } |
| CGOFree(I->primitiveCGO); | | CGOFree(I->primitiveCGO); |
| CGOFree(I->renderCGO); | | CGOFree(I->renderCGO); |
| CGOFree(I->spheroidCGO); | | CGOFree(I->spheroidCGO); |
| FreeP(I->LastColor); | | FreeP(I->LastColor); |
| FreeP(I->LastVisib); | | FreeP(I->LastVisib); |
| | |
| skipping to change at line 178 | | skipping to change at line 176 |
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| if (!use_shader || !G->ShaderMgr->ShaderPrgExists("sphere")) { | | if (!use_shader || !G->ShaderMgr->ShaderPrgExists("sphere")) { |
| sphere_mode = 0; | | sphere_mode = 0; |
| } | | } |
| } | | } |
| return sphere_mode; | | return sphere_mode; |
| } | | } |
| | |
| static void RepSphereRender(RepSphere * I, RenderInfo * info) | | static void RepSphereRender(RepSphere * I, RenderInfo * info) |
| { | | { |
| CRay *ray = info->ray; | | CRay *ray = info->ray; |
|
| Picking **pick = info->pick; | | auto pick = info->pick; |
| PyMOLGlobals *G = I->R.G; | | PyMOLGlobals *G = I->R.G; |
| int ok = true; | | int ok = true; |
| bool use_shader = SettingGetGlobal_b(G, cSetting_sphere_use_shader) && | | bool use_shader = SettingGetGlobal_b(G, cSetting_sphere_use_shader) && |
| SettingGetGlobal_b(G, cSetting_use_shaders); | | SettingGetGlobal_b(G, cSetting_use_shaders); |
| if(ray) { | | if(ray) { |
| #ifndef _PYMOL_NO_RAY | | #ifndef _PYMOL_NO_RAY |
| ok &= RepSphereRenderRay(G, I, info); | | ok &= RepSphereRenderRay(G, I, info); |
| #endif | | #endif |
| return; | | return; |
| } | | } |
| | |
| skipping to change at line 239 | | skipping to change at line 237 |
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| I->R.fInvalidate(&I->R, I->R.cs, cRepInvPurge); | | I->R.fInvalidate(&I->R, I->R.cs, cRepInvPurge); |
| I->R.cs->Active[cRepSphere] = false; | | I->R.cs->Active[cRepSphere] = false; |
| } | | } |
| | |
| if (I->renderCGO) | | if (I->renderCGO) |
| CGORenderGL(I->renderCGO, NULL, NULL, NULL, info, &I->R); | | CGORenderGL(I->renderCGO, NULL, NULL, NULL, info, &I->R); |
| } | | } |
| } | | } |
| } | | } |
| | |
|
| | static |
| int RepSphereSameVis(RepSphere * I, CoordSet * cs) | | int RepSphereSameVis(RepSphere * I, CoordSet * cs) |
| { | | { |
| bool *lv; | | bool *lv; |
| int *lc; | | int *lc; |
| int a; | | int a; |
| AtomInfoType *ai; | | AtomInfoType *ai; |
| if(I->LastVisib && I->LastColor) { | | if(I->LastVisib && I->LastColor) { |
| lv = I->LastVisib; | | lv = I->LastVisib; |
| lc = I->LastColor; | | lc = I->LastColor; |
| | |
| | |
| skipping to change at line 500 | | skipping to change at line 499 |
|---|
| ObjectMolecule *obj; | | ObjectMolecule *obj; |
| int ok = true; | | int ok = true; |
| int a, a1; | | int a, a1; |
| bool *lv; | | bool *lv; |
| int *lc; | | int *lc; |
| float sphere_scale, sphere_add = 0.f; | | float sphere_scale, sphere_add = 0.f; |
| int sphere_color; | | int sphere_color; |
| int cartoon_side_chain_helper = 0; | | int cartoon_side_chain_helper = 0; |
| int ribbon_side_chain_helper = 0; | | int ribbon_side_chain_helper = 0; |
| AtomInfoType *ati1; | | AtomInfoType *ati1; |
|
| int sphere_mode; | | int sphere_mode = 0; |
| bool *marked = NULL; | | bool *marked = NULL; |
| float transp; | | float transp; |
| int variable_alpha = false; | | int variable_alpha = false; |
| short use_shader = SettingGetGlobal_b(G, cSetting_sphere_use_shader) && | | short use_shader = SettingGetGlobal_b(G, cSetting_sphere_use_shader) && |
| SettingGetGlobal_b(G, cSetting_use_shaders); | | SettingGetGlobal_b(G, cSetting_use_shaders); |
| // skip if not visible | | // skip if not visible |
| if(!cs->hasRep(cRepSphereBit)) | | if(!cs->hasRep(cRepSphereBit)) |
| return NULL; | | return NULL; |
| | |
| OOCalloc(G, RepSphere); | | OOCalloc(G, RepSphere); |
| | | |
| End of changes. 4 change blocks. |
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| 5 lines changed or deleted | | 4 lines changed or added |
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