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.
| RepDihedral.cpp (pymol-v1.8.6.0.tar.bz2) | : | RepDihedral.cpp (pymol-v2.1.0.tar.bz2) |
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| | |
| skipping to change at line 72 | | skipping to change at line 72 |
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| CRay *ray = info->ray; | | CRay *ray = info->ray; |
| Picking **pick = info->pick; | | Picking **pick = info->pick; |
| PyMOLGlobals *G = I->R.G; | | PyMOLGlobals *G = I->R.G; |
| float *v = I->V; | | float *v = I->V; |
| int c = I->N; | | int c = I->N; |
| float *vc; | | float *vc; |
| float line_width; | | float line_width; |
| int round_ends; | | int round_ends; |
| int ok = true; | | int ok = true; |
| int color = | | int color = |
|
| SettingGet_color(G, I->ds->Setting, I->ds->Obj->Obj.Setting, cSetting_dihedr
al_color); | | SettingGet_color(G, NULL, I->ds->Obj->Obj.Setting, cSetting_dihedral_color); |
| I->linewidth = line_width = | | I->linewidth = line_width = |
|
| SettingGet_f(G, I->ds->Setting, I->ds->Obj->Obj.Setting, cSetting_dash_width
); | | SettingGet_f(G, NULL, I->ds->Obj->Obj.Setting, cSetting_dash_width); |
| I->radius = | | I->radius = |
|
| SettingGet_f(G, I->ds->Setting, I->ds->Obj->Obj.Setting, cSetting_dash_radiu
s); | | SettingGet_f(G, NULL, I->ds->Obj->Obj.Setting, cSetting_dash_radius); |
| round_ends = | | round_ends = |
|
| SettingGet_b(G, I->ds->Setting, I->ds->Obj->Obj.Setting, cSetting_dash_round
_ends); | | SettingGet_b(G, NULL, I->ds->Obj->Obj.Setting, cSetting_dash_round_ends); |
| | |
| line_width = SceneGetDynamicLineWidth(info, line_width); | | line_width = SceneGetDynamicLineWidth(info, line_width); |
| | |
| if(ray) { | | if(ray) { |
| float radius; | | float radius; |
| | |
| if(I->radius == 0.0F) { | | if(I->radius == 0.0F) { |
| radius = ray->PixelRadius * line_width / 2.0F; | | radius = ray->PixelRadius * line_width / 2.0F; |
| } else { | | } else { |
| radius = I->radius; | | radius = I->radius; |
| | |
| skipping to change at line 312 | | skipping to change at line 312 |
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| RepInit(G, &I->R); | | RepInit(G, &I->R); |
| | |
| I->R.fRender = (void (*)(struct Rep *, RenderInfo * info)) RepDihedralRender; | | I->R.fRender = (void (*)(struct Rep *, RenderInfo * info)) RepDihedralRender; |
| I->R.fFree = (void (*)(struct Rep *)) RepDihedralFree; | | I->R.fFree = (void (*)(struct Rep *)) RepDihedralFree; |
| I->R.fRecolor = NULL; | | I->R.fRecolor = NULL; |
| I->R.obj = &ds->Obj->Obj; | | I->R.obj = &ds->Obj->Obj; |
| I->R.cs = NULL; | | I->R.cs = NULL; |
| if (ds && ds->Rep && ds->Rep[cRepDihedral]) | | if (ds && ds->Rep && ds->Rep[cRepDihedral]) |
| I->R.cs = ds->Rep[cRepDihedral]->cs; | | I->R.cs = ds->Rep[cRepDihedral]->cs; |
| | |
|
| dash_len = SettingGet_f(G, ds->Setting, ds->Obj->Obj.Setting, cSetting_dash_le | | dash_len = SettingGet_f(G, NULL, ds->Obj->Obj.Setting, cSetting_dash_length); |
| ngth); | | dash_gap = SettingGet_f(G, NULL, ds->Obj->Obj.Setting, cSetting_dash_gap); |
| dash_gap = SettingGet_f(G, ds->Setting, ds->Obj->Obj.Setting, cSetting_dash_ga | | |
| p); | | |
| dash_sum = dash_len + dash_gap; | | dash_sum = dash_len + dash_gap; |
| if(dash_sum < R_SMALL4) | | if(dash_sum < R_SMALL4) |
| dash_sum = 0.5; | | dash_sum = 0.5; |
| | |
| I->shaderCGO = 0; | | I->shaderCGO = 0; |
| I->N = 0; | | I->N = 0; |
| I->V = NULL; | | I->V = NULL; |
| I->R.P = NULL; | | I->R.P = NULL; |
| I->Obj = (CObject *) ds->Obj; | | I->Obj = (CObject *) ds->Obj; |
| I->ds = ds; | | I->ds = ds; |
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| skipping to change at line 339 | | skipping to change at line 339 |
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| | |
| float d12[3], d32[3], d43[3], n12[3], n32[3], n43[3]; | | float d12[3], d32[3], d43[3], n12[3], n32[3], n43[3]; |
| float p12[3], p43[3], np12[3], np43[3], v12[3], v43[3]; | | float p12[3], p43[3], np12[3], np43[3], v12[3], v43[3]; |
| float s12[3], s43[3]; | | float s12[3], s43[3]; |
| | |
| float a32[3]; | | float a32[3]; |
| float l1, l2; | | float l1, l2; |
| float d3[3], n1[3], n3[3], x[3], y[3]; | | float d3[3], n1[3], n3[3], x[3], y[3]; |
| float radius, length, angle, phase, pos; | | float radius, length, angle, phase, pos; |
| float dihedral_size = | | float dihedral_size = |
|
| SettingGet_f(G, ds->Setting, ds->Obj->Obj.Setting, cSetting_dihedral_size)
; | | SettingGet_f(G, NULL, ds->Obj->Obj.Setting, cSetting_dihedral_size); |
| | |
| I->V = VLAlloc(float, ds->NDihedralIndex * 10); | | I->V = VLAlloc(float, ds->NDihedralIndex * 10); |
| CHECKOK(ok, I->V); | | CHECKOK(ok, I->V); |
| for(a = 0; ok && a < ds->NDihedralIndex; a = a + 6) { | | for(a = 0; ok && a < ds->NDihedralIndex; a = a + 6) { |
| v1 = ds->DihedralCoord + 3 * a; | | v1 = ds->DihedralCoord + 3 * a; |
| v2 = v1 + 3; | | v2 = v1 + 3; |
| v3 = v1 + 6; | | v3 = v1 + 6; |
| v4 = v1 + 9; | | v4 = v1 + 9; |
| v5 = v1 + 12; | | v5 = v1 + 12; |
| v6 = v1 + 15; | | v6 = v1 + 15; |
| | | |
| End of changes. 6 change blocks. |
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| 9 lines changed or deleted | | 7 lines changed or added |
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