"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer3/Executive.cpp" between
pymol-v2.1.0.tar.bz2 and pymol-open-source-2.2.0.tar.gz

About: PyMOL 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.

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Executive.cpp  (pymol-v2.1.0.tar.bz2):Executive.cpp  (pymol-open-source-2.2.0)
skipping to change at line 45 skipping to change at line 45
#include"ObjectSlice.h" #include"ObjectSlice.h"
#include"ObjectAlignment.h" #include"ObjectAlignment.h"
#include"ObjectGroup.h" #include"ObjectGroup.h"
#include"ObjectVolume.h" #include"ObjectVolume.h"
#include"ObjectCallback.h" #include"ObjectCallback.h"
#include"ObjectMap.h" #include"ObjectMap.h"
#include"ListMacros.h" #include"ListMacros.h"
#include"MyPNG.h" #include"MyPNG.h"
#include"Ortho.h" #include"Ortho.h"
#include"Scene.h" #include"Scene.h"
#include"ScenePicking.h"
#include"SceneRay.h"
#include"Selector.h" #include"Selector.h"
#include"Vector.h" #include"Vector.h"
#include"Color.h" #include"Color.h"
#include"Setting.h" #include"Setting.h"
#include"Matrix.h" #include"Matrix.h"
#include"P.h" #include"P.h"
#include"PConv.h" #include"PConv.h"
#include"Match.h" #include"Match.h"
#include"ObjectCGO.h" #include"ObjectCGO.h"
#include"Util.h" #include"Util.h"
#include"Util2.h"
#include"Wizard.h" #include"Wizard.h"
#include"ScrollBar.h" #include"ScrollBar.h"
#include"Movie.h" #include"Movie.h"
#include"ObjectGadgetRamp.h" #include"ObjectGadgetRamp.h"
#include"SculptCache.h" #include"SculptCache.h"
#include"Control.h" #include"Control.h"
#include"Menu.h" #include"Menu.h"
#include"Map.h" #include"Map.h"
#include"Editor.h" #include"Editor.h"
#include"RepDot.h" #include"RepDot.h"
skipping to change at line 1846 skipping to change at line 1849
int ignore_case = SettingGetGlobal_b(G, cSetting_ignore_case); int ignore_case = SettingGetGlobal_b(G, cSetting_ignore_case);
while(ListIterate(I->Spec, rec, next)) { while(ListIterate(I->Spec, rec, next)) {
if(WordMatchExact(G, name, rec->name, ignore_case)) { if(WordMatchExact(G, name, rec->name, ignore_case)) {
result = rec; result = rec;
break; break;
} }
} }
return (result); return (result);
} }
/*
* Scroll the i'th match in the object menu panel to the top.
* Scroll to last match if i < 0 and to first match if i > #-1.
* Open groups if hit is inside.
* Highlight the hit (same as mouse click highlight).
*
* Returns the number of hits
*/
int ExecutiveScrollTo(PyMOLGlobals * G, const char * name, int i) {
CExecutive *I = G->Executive;
PanelRec *panel = NULL;
int pos = 0, numhits = 0;
ObjectGroup *group;
SpecRec *tmp, *spec = NULL, *first = NULL;
int ignore_case = SettingGetGlobal_b(G, cSetting_ignore_case);
int j, lendiff, plen = strlen(name);
ok_assert(1, I->Spec);
// i'th substring match, skip the "all" item
for(tmp = I->Spec->next; tmp; tmp = tmp->next) {
lendiff = strlen(tmp->name) - plen;
for(j = 0; j <= lendiff; j++)
if(WordMatchNoWild(G, name, tmp->name + j, ignore_case)) {
if(numhits++ == i || i < 0)
spec = tmp;
if(!first)
first = tmp;
break;
}
tmp->hilight = 0;
}
// if i was out of range
if(!spec)
spec = first;
ok_assert(1, spec);
// flash button until panel is clicked for the next time
spec->hilight = 1;
// open parent groups
for(tmp = spec->group; tmp; tmp = tmp->group) {
if(!(tmp->type == cExecObject &&
tmp->obj->type == cObjectGroup))
break;
group = (ObjectGroup *) tmp->obj;
if(!group->OpenOrClosed) {
group->OpenOrClosed = 1;
ExecutiveInvalidatePanelList(G);
}
}
// in case any parent got opened
ExecutiveUpdatePanelList(G);
// scroll that record to the top
while(ListIterate(I->Panel, panel, next)) {
if(panel->spec == spec) {
ScrollBarSetValueNoCheck(I->ScrollBar, pos);
return numhits;
}
pos++;
}
ok_except1:
return numhits;
}
void ExecutiveUpdateColorDepends(PyMOLGlobals * G, ObjectMolecule * mol) void ExecutiveUpdateColorDepends(PyMOLGlobals * G, ObjectMolecule * mol)
{ {
CExecutive *I = G->Executive; CExecutive *I = G->Executive;
SpecRec *rec = NULL; SpecRec *rec = NULL;
while(ListIterate(I->Spec, rec, next)) { while(ListIterate(I->Spec, rec, next)) {
if(rec->type == cExecObject) { if(rec->type == cExecObject) {
if(rec->obj->type == cObjectGadget) { if(rec->obj->type == cObjectGadget) {
ObjectGadget *gadget = (ObjectGadget *) rec->obj; ObjectGadget *gadget = (ObjectGadget *) rec->obj;
if(gadget->GadgetType == cGadgetRamp) { if(gadget->GadgetType == cGadgetRamp) {
skipping to change at line 2500 skipping to change at line 2573
if(source_mode < 0) if(source_mode < 0)
source_mode = matrix_mode; source_mode = matrix_mode;
if(target_mode < 0) if(target_mode < 0)
target_mode = matrix_mode; target_mode = matrix_mode;
if(source_name[0] == 0) { if(source_name[0] == 0) {
source_mode = 3; source_mode = 3;
target_undo = 0; target_undo = 0;
} else } else
src_rec = ExecutiveFindSpec(G, source_name); src_rec = ExecutiveFindSpec(G, source_name);
if (source_mode != 3 && !src_rec) {
PRINTFB(G, FB_Executive, FB_Warnings)
" %s-Warning: Can't find source object '%s'.\n", __FUNCTION__, source_name
ENDFB(G);
}
int list_id = ExecutiveGetNamesListFromPattern(G, target_name, true, cExecExpa
ndKeepGroups);
if (!list_id) {
PRINTFB(G, FB_Executive, FB_Warnings)
" %s-Warning: No match for target '%s'.\n", __FUNCTION__, target_name
ENDFB(G);
}
switch (source_mode) { switch (source_mode) {
case 0: /* txf history is the source matrix */ case 0: /* txf history is the source matrix */
{ {
double *history = NULL; double *history = NULL;
int found = ExecutiveGetObjectMatrix(G, source_name, source_state, &histor y, false); int found = ExecutiveGetObjectMatrix(G, source_name, source_state, &histor y, false);
if(found) { if(found) {
int list_id = ExecutiveGetNamesListFromPattern(G, target_name,
true, cExecExpandKeepGrou
ps);
int iter_id = TrackerNewIter(I_Tracker, 0, list_id); int iter_id = TrackerNewIter(I_Tracker, 0, list_id);
SpecRec *rec; SpecRec *rec;
while(TrackerIterNextCandInList(I_Tracker, iter_id, while(TrackerIterNextCandInList(I_Tracker, iter_id,
(TrackerRef **) (void *) &rec)) { (TrackerRef **) (void *) &rec)) {
if(rec && (rec != src_rec)) { if(rec && (rec != src_rec)) {
switch (rec->type) { switch (rec->type) {
case cExecObject: case cExecObject:
switch (target_mode) { switch (target_mode) {
skipping to change at line 2575 skipping to change at line 2660
/* to do: logging, return values, etc. */ /* to do: logging, return values, etc. */
break; break;
case 2: /* applying changes to the state matrix */ case 2: /* applying changes to the state matrix */
ok = ExecutiveSetObjectMatrix(G, rec->name, target_state, histor y); ok = ExecutiveSetObjectMatrix(G, rec->name, target_state, histor y);
break; break;
} }
break; break;
} }
} }
} }
TrackerDelList(I_Tracker, list_id);
TrackerDelIter(I_Tracker, iter_id); TrackerDelIter(I_Tracker, iter_id);
} }
} }
break; break;
case 1: /* from the TTT matrix */ case 1: /* from the TTT matrix */
{ {
/* note that for now we're forcing states to be -1 */ /* note that for now we're forcing states to be -1 */
/* in the future, we may have per-state TTTs -- though right now the /* in the future, we may have per-state TTTs -- though right now the
view matrices serve that purpose */ view matrices serve that purpose */
const float *tttf; const float *tttf;
int found = ExecutiveGetObjectTTT(G, source_name, &tttf, -1, quiet); int found = ExecutiveGetObjectTTT(G, source_name, &tttf, -1, quiet);
if(found) { if(found) {
int list_id = ExecutiveGetNamesListFromPattern(G, target_name, true,
cExecExpandKeepGroups);
int iter_id = TrackerNewIter(I_Tracker, 0, list_id); int iter_id = TrackerNewIter(I_Tracker, 0, list_id);
SpecRec *rec; SpecRec *rec;
while(TrackerIterNextCandInList(I_Tracker, iter_id, while(TrackerIterNextCandInList(I_Tracker, iter_id,
(TrackerRef **) (void *) &rec)) { (TrackerRef **) (void *) &rec)) {
if(rec && (rec != src_rec)) { if(rec && (rec != src_rec)) {
switch (rec->type) { switch (rec->type) {
case cExecObject: case cExecObject:
skipping to change at line 2623 skipping to change at line 2705
ok = ExecutiveSetObjectMatrix(G, rec->name, -1, homo); ok = ExecutiveSetObjectMatrix(G, rec->name, -1, homo);
} else { } else {
ok = ExecutiveSetObjectMatrix(G, rec->name, -1, NULL); ok = ExecutiveSetObjectMatrix(G, rec->name, -1, NULL);
} }
break; break;
} }
} }
} }
} }
TrackerDelList(I_Tracker, list_id);
TrackerDelIter(I_Tracker, iter_id); TrackerDelIter(I_Tracker, iter_id);
} }
} }
break; break;
case 2: /* from the state matrix */ case 2: /* from the state matrix */
{ {
double *homo; double *homo;
int found = ExecutiveGetObjectMatrix(G, source_name, source_state, &homo, false); int found = ExecutiveGetObjectMatrix(G, source_name, source_state, &homo, false);
if(found) { if(found) {
int list_id =
ExecutiveGetNamesListFromPattern(G, target_name, true, cExecExpandKeep
Groups);
int iter_id = TrackerNewIter(I_Tracker, 0, list_id); int iter_id = TrackerNewIter(I_Tracker, 0, list_id);
SpecRec *rec; SpecRec *rec;
while(TrackerIterNextCandInList(I_Tracker, iter_id, while(TrackerIterNextCandInList(I_Tracker, iter_id,
(TrackerRef **) (void *) &rec)) { (TrackerRef **) (void *) &rec)) {
if(rec && (rec != src_rec)) { if(rec && (rec != src_rec)) {
switch (rec->type) { switch (rec->type) {
case cExecObject: case cExecObject:
switch (target_mode) { switch (target_mode) {
skipping to change at line 2672 skipping to change at line 2751
int found = ExecutiveGetObjectTTT(G, source_name, &tttf, -1, q uiet); int found = ExecutiveGetObjectTTT(G, source_name, &tttf, -1, q uiet);
if(found) { if(found) {
ExecutiveSetObjectTTT(G, rec->name, tttf, -1, quiet, -1); ExecutiveSetObjectTTT(G, rec->name, tttf, -1, quiet, -1);
} }
} }
break; break;
} }
} }
} }
} }
TrackerDelList(I_Tracker, list_id);
TrackerDelIter(I_Tracker, iter_id); TrackerDelIter(I_Tracker, iter_id);
} }
} }
break; break;
case 3: /* camera */ case 3: /* camera */
{ {
SceneViewType view; SceneViewType view;
double homo[16], *history; double homo[16], *history;
int list_id = ExecutiveGetNamesListFromPattern(G, target_name,
true, cExecExpandKeepGroups
);
int iter_id = TrackerNewIter(I_Tracker, 0, list_id); int iter_id = TrackerNewIter(I_Tracker, 0, list_id);
SpecRec *rec; SpecRec *rec;
SceneGetView(G, view); SceneGetView(G, view);
homo[0] = view[0]; homo[0] = view[0];
homo[1] = view[4]; homo[1] = view[4];
homo[2] = view[8]; homo[2] = view[8];
homo[3] = -(view[0] * view[19] + view[4] * view[20] + view[8] * view[21]); homo[3] = -(view[0] * view[19] + view[4] * view[20] + view[8] * view[21]);
homo[4] = view[1]; homo[4] = view[1];
homo[5] = view[5]; homo[5] = view[5];
homo[6] = view[9]; homo[6] = view[9];
skipping to change at line 2757 skipping to change at line 2833
} }
/* to do: logging, return values, etc. */ /* to do: logging, return values, etc. */
break; break;
case 2: /* applying changes to the state matrix */ case 2: /* applying changes to the state matrix */
ok = ExecutiveSetObjectMatrix(G, rec->name, target_state, history) ; ok = ExecutiveSetObjectMatrix(G, rec->name, target_state, history) ;
break; break;
} }
break; break;
} }
} }
TrackerDelList(I_Tracker, list_id);
TrackerDelIter(I_Tracker, iter_id); TrackerDelIter(I_Tracker, iter_id);
} }
} }
break; break;
} }
TrackerDelList(I_Tracker, list_id);
SceneInvalidate(G); SceneInvalidate(G);
return ok; return ok;
} }
static void ExecutiveInvalidateMapDependents(PyMOLGlobals * G, const char *map_n ame, const char * new_name = NULL) static void ExecutiveInvalidateMapDependents(PyMOLGlobals * G, const char *map_n ame, const char * new_name = NULL)
{ {
CExecutive *I = G->Executive; CExecutive *I = G->Executive;
SpecRec *rec = NULL; SpecRec *rec = NULL;
while(ListIterate(I->Spec, rec, next)) { while(ListIterate(I->Spec, rec, next)) {
if(rec->type == cExecObject) { if(rec->type == cExecObject) {
skipping to change at line 5935 skipping to change at line 6013
if(have_active) if(have_active)
ExecutiveSetObjVisib(G, active, true, false); ExecutiveSetObjVisib(G, active, true, false);
} }
OVOneToOne_DEL_AUTO_NULL(G->SettingUnique->old2new); OVOneToOne_DEL_AUTO_NULL(G->SettingUnique->old2new);
if(incomplete) { if(incomplete) {
PRINTFB(G, FB_Executive, FB_Warnings) PRINTFB(G, FB_Executive, FB_Warnings)
"ExectiveSetSession-Warning: restore may be incomplete.\n" ENDFB(G); "ExectiveSetSession-Warning: restore may be incomplete.\n" ENDFB(G);
} }
CShaderMgr_Set_Reload_Bits(G, RELOAD_SHADERS_UPDATE_FOR_BACKGROUND); G->ShaderMgr->Set_Reload_Bits(RELOAD_ALL_SHADERS);
OrthoBackgroundTextureNeedsUpdate(G); OrthoBackgroundTextureNeedsUpdate(G);
ExecutiveInvalidateSelectionIndicatorsCGO(G); ExecutiveInvalidateSelectionIndicatorsCGO(G);
OrthoInvalidateDoDraw(G);
SceneChanged(G); SceneChanged(G);
return (ok); return (ok);
} }
#define ExecScrollBarMargin DIP2PIXEL(1) #define ExecScrollBarMargin DIP2PIXEL(1)
#define ExecScrollBarWidth DIP2PIXEL(13) #define ExecScrollBarWidth DIP2PIXEL(13)
void ExecutiveObjMolSeleOp(PyMOLGlobals * G, int sele, ObjectMoleculeOpRec * op) ; void ExecutiveObjMolSeleOp(PyMOLGlobals * G, int sele, ObjectMoleculeOpRec * op) ;
static CObject **ExecutiveSeleToObjectVLA(PyMOLGlobals * G, const char *s1) static CObject **ExecutiveSeleToObjectVLA(PyMOLGlobals * G, const char *s1)
skipping to change at line 7192 skipping to change at line 7271
SceneGetCenter(G, pos); SceneGetCenter(G, pos);
center[3] = 1.0F / center[3]; center[3] = 1.0F / center[3];
scale3f(center, center[3], center); scale3f(center, center[3], center);
center[7] = 1.0F / center[7]; center[7] = 1.0F / center[7];
scale3f(center + 4, center[7], center + 4); scale3f(center + 4, center[7], center + 4);
subtract3f(center, center + 4, center); subtract3f(center, center + 4, center);
add3f(pos, center, center); add3f(pos, center, center);
ExecutiveCenter(G, NULL, -1, true, false, center, true); ExecutiveCenter(G, NULL, -1, true, false, center, true);
} }
} }
if (active){
EditorInvalidateShaderCGO(G);
}
return (active); return (active);
} }
/*========================================================================*/ /*========================================================================*/
float ExecutiveSculptIterate(PyMOLGlobals * G, const char *name, int state, int n_cycle) float ExecutiveSculptIterate(PyMOLGlobals * G, const char *name, int state, int n_cycle)
{ {
CObject *obj = ExecutiveFindObjectByName(G, name); CObject *obj = ExecutiveFindObjectByName(G, name);
CExecutive *I = G->Executive; CExecutive *I = G->Executive;
SpecRec *rec = NULL; SpecRec *rec = NULL;
ObjectMolecule *objMol; ObjectMolecule *objMol;
skipping to change at line 8096 skipping to change at line 8178
int ExecutiveCartoon(PyMOLGlobals * G, int type, const char *s1) int ExecutiveCartoon(PyMOLGlobals * G, int type, const char *s1)
{ {
SelectorTmp tmpsele1(G, s1); SelectorTmp tmpsele1(G, s1);
int sele1 = tmpsele1.getIndex(); int sele1 = tmpsele1.getIndex();
ObjectMoleculeOpRec op1; ObjectMoleculeOpRec op1;
ObjectMoleculeOpRecInit(&op1); ObjectMoleculeOpRecInit(&op1);
op1.i2 = 0; op1.i2 = 0;
if(sele1 >= 0) { if(sele1 >= 0) {
op1.code = OMOP_INVA;
op1.i1 = cRepCartoon;
op1.i2 = cRepInvRep;
ExecutiveObjMolSeleOp(G, sele1, &op1);
op1.code = OMOP_Cartoon; op1.code = OMOP_Cartoon;
op1.i1 = type; op1.i1 = type;
op1.i2 = 0; op1.i2 = 0;
op1.i3 = 0; op1.i3 = 0;
ExecutiveObjMolSeleOp(G, sele1, &op1); ExecutiveObjMolSeleOp(G, sele1, &op1);
if (op1.i3>0){ if (op1.i3>0){
op1.code = OMOP_INVA; op1.code = OMOP_INVA;
op1.i1 = cRepCartoonBit; op1.i1 = cRepCartoonBit;
op1.i2 = cRepInvRep; op1.i2 = cRepInvRep;
ExecutiveObjMolSeleOp(G, sele1, &op1); ExecutiveObjMolSeleOp(G, sele1, &op1);
skipping to change at line 8416 skipping to change at line 8494
void ExecutiveInvalidateSelectionIndicatorsCGO(PyMOLGlobals *G){ void ExecutiveInvalidateSelectionIndicatorsCGO(PyMOLGlobals *G){
CExecutive *I = G->Executive; CExecutive *I = G->Executive;
SpecRec *rec = NULL; SpecRec *rec = NULL;
if (I){ if (I){
if (I->selIndicatorsCGO){ if (I->selIndicatorsCGO){
CGOFree(I->selIndicatorsCGO); CGOFree(I->selIndicatorsCGO);
I->selIndicatorsCGO = 0; I->selIndicatorsCGO = 0;
} }
while(ListIterate(I->Spec, rec, next)) { while(ListIterate(I->Spec, rec, next)) {
if(rec->type == cExecObject) { if(rec->type == cExecObject) {
if (rec->gridSlotSelIndicatorsCGO){
CGOFree(rec->gridSlotSelIndicatorsCGO); CGOFree(rec->gridSlotSelIndicatorsCGO);
rec->gridSlotSelIndicatorsCGO = NULL;
}
} }
} }
} }
} }
static void ExecutiveRegenerateTextureForSelector(PyMOLGlobals *G, int round_poi nts, int *widths_arg){ static void ExecutiveRegenerateTextureForSelector(PyMOLGlobals *G, int round_poi nts, int *widths_arg){
CExecutive *I = G->Executive; CExecutive *I = G->Executive;
unsigned char *temp_buffer = Alloc(unsigned char, widths_arg[0] * widths_arg[0 ] * 4); unsigned char *temp_buffer = Alloc(unsigned char, widths_arg[0] * widths_arg[0 ] * 4);
int a, b; int a, b;
float mid_point, disty, distx, dist, wminusd; float mid_point, disty, distx, dist, wminusd;
skipping to change at line 8513 skipping to change at line 8588
widths_arg[0], widths_arg[0], GL_RGBA, GL_UNSIGNED_BYTE, temp_b uffer); widths_arg[0], widths_arg[0], GL_RGBA, GL_UNSIGNED_BYTE, temp_b uffer);
FreeP(temp_buffer); FreeP(temp_buffer);
} }
static void ExecutiveRenderIndicatorCGO(PyMOLGlobals * G, CGO *selIndicatorsCGO) { static void ExecutiveRenderIndicatorCGO(PyMOLGlobals * G, CGO *selIndicatorsCGO) {
CExecutive *I = G->Executive; CExecutive *I = G->Executive;
CShaderPrg *shaderPrg; CShaderPrg *shaderPrg;
float text_texture_dim = TextureGetTextTextureSize(G); float text_texture_dim = TextureGetTextTextureSize(G);
float textureScale; float textureScale;
int no_depth = (int) SettingGetGlobal_f(G, cSetting_selection_overlay); int no_depth = (int) SettingGetGlobal_f(G, cSetting_selection_overlay);
shaderPrg = CShaderPrg_Enable_IndicatorShader(G); shaderPrg = G->ShaderMgr->Enable_IndicatorShader();
if (!shaderPrg)return; if (!shaderPrg)return;
glEnable(GL_POINT_SPRITE); glEnable(GL_POINT_SPRITE);
glEnable(GL_VERTEX_PROGRAM_POINT_SIZE); glEnable(GL_VERTEX_PROGRAM_POINT_SIZE);
CShaderPrg_SetLightingEnabled(shaderPrg, 0); shaderPrg->SetLightingEnabled(0);
CShaderPrg_SetAttrib4fLocation(shaderPrg, "a_Color", 1.f, 1.f, 1.f, 1.f); shaderPrg->SetAttrib4fLocation("a_Color", 1.f, 1.f, 1.f, 1.f);
CShaderPrg_Set1f(shaderPrg, "g_pointSize", DIP2PIXEL(I->selectorTextureSize)); shaderPrg->Set1f("g_pointSize", DIP2PIXEL(I->selectorTextureSize));
CShaderPrg_Set2f(shaderPrg, "textureLookup", I->selectorTexturePosX/text_textu shaderPrg->Set2f("textureLookup", I->selectorTexturePosX/text_texture_dim, I->
re_dim, I->selectorTexturePosY/text_texture_dim); selectorTexturePosY/text_texture_dim);
textureScale = I->selectorTextureSize/text_texture_dim ; textureScale = I->selectorTextureSize/text_texture_dim ;
CShaderPrg_Set2f(shaderPrg, "textureScale", textureScale, textureScale); shaderPrg->Set2f("textureScale", textureScale, textureScale);
int v[4];
glGetIntegerv(GL_VIEWPORT, v);
shaderPrg->Set4f("viewport", v[0], v[1], v[2], v[3]);
if(no_depth) if(no_depth)
glDisable(GL_DEPTH_TEST); glDisable(GL_DEPTH_TEST);
CGORenderGL(selIndicatorsCGO, NULL, NULL, NULL, NULL, NULL); CGORenderGL(selIndicatorsCGO, NULL, NULL, NULL, NULL, NULL);
if(no_depth) if(no_depth)
glEnable(GL_DEPTH_TEST); glEnable(GL_DEPTH_TEST);
glDisable(GL_VERTEX_PROGRAM_POINT_SIZE); glDisable(GL_VERTEX_PROGRAM_POINT_SIZE);
glDisable(GL_POINT_SPRITE); glDisable(GL_POINT_SPRITE);
CShaderPrg_Disable(shaderPrg); shaderPrg->Disable();
} }
static void ExecutiveSetupIndicatorPassGLImmediate(PyMOLGlobals * G, SpecRec *re c, int pass, float gl_width, int width){ static void ExecutiveSetupIndicatorPassGLImmediate(PyMOLGlobals * G, SpecRec *re c, int pass, float gl_width, int width){
#ifndef PURE_OPENGL_ES_2 #ifndef PURE_OPENGL_ES_2
switch (pass){ switch (pass){
case 0: case 0:
if(rec->sele_color < 0) if(rec->sele_color < 0)
glColor3f(1.0F, 0.2F, 0.6F); glColor3f(1.0F, 0.2F, 0.6F);
else else
glColor3fv(ColorGet(G, rec->sele_color)); glColor3fv(ColorGet(G, rec->sele_color));
skipping to change at line 8640 skipping to change at line 8718
rec = NULL; rec = NULL;
} else if (I->selIndicatorsCGO){ } else if (I->selIndicatorsCGO){
ExecutiveRenderIndicatorCGO(G, I->selIndicatorsCGO); ExecutiveRenderIndicatorCGO(G, I->selIndicatorsCGO);
return; return;
} }
} }
} else { } else {
inv_indicators = true; inv_indicators = true;
} }
if (inv_indicators){ if (inv_indicators){
if (I->selIndicatorsCGO){
CGOFree(I->selIndicatorsCGO); CGOFree(I->selIndicatorsCGO);
I->selIndicatorsCGO = NULL;
}
if (slot){ if (slot){
while(ListIterate(I->Spec, rec, next)) { while(ListIterate(I->Spec, rec, next)) {
if(rec->type == cExecObject) { if(rec->type == cExecObject) {
if (SceneGetDrawFlagGrid(G, grid, rec->obj->grid_slot)){ if (SceneGetDrawFlagGrid(G, grid, rec->obj->grid_slot)){
if (rec->gridSlotSelIndicatorsCGO){
CGOFree(rec->gridSlotSelIndicatorsCGO); CGOFree(rec->gridSlotSelIndicatorsCGO);
rec->gridSlotSelIndicatorsCGO = NULL;
}
} }
} }
} }
} }
} }
while(ListIterate(I->Spec, rec, next)) { while(ListIterate(I->Spec, rec, next)) {
if(rec->type == cExecSelection) { if(rec->type == cExecSelection) {
if (rec->visible) { if (rec->visible) {
any_active = true; any_active = true;
break; break;
skipping to change at line 8780 skipping to change at line 8852
CGO *drawArrayCGO = NULL; CGO *drawArrayCGO = NULL;
rec1->gridSlotSelIndicatorsCGO = CGONew(G); rec1->gridSlotSelIndicatorsCGO = CGONew(G);
CGODotwidth(rec1->gridSlotSelIndicatorsCGO, gl_width) ; CGODotwidth(rec1->gridSlotSelIndicatorsCGO, gl_width) ;
CGOBegin(rec1->gridSlotSelIndicatorsCGO, GL_POINTS); CGOBegin(rec1->gridSlotSelIndicatorsCGO, GL_POINTS);
ObjectMoleculeRenderSele((ObjectMolecule *) rec1->obj , curState, sele, ObjectMoleculeRenderSele((ObjectMolecule *) rec1->obj , curState, sele,
vis_only, rec1->gridSlotSelI ndicatorsCGO); vis_only, rec1->gridSlotSelI ndicatorsCGO);
CGOEnd(rec1->gridSlotSelIndicatorsCGO); CGOEnd(rec1->gridSlotSelIndicatorsCGO);
CGOStop(rec1->gridSlotSelIndicatorsCGO); CGOStop(rec1->gridSlotSelIndicatorsCGO);
drawArrayCGO = CGOCombineBeginEnd(rec1->gridSlotSelIn dicatorsCGO, 0); drawArrayCGO = CGOCombineBeginEnd(rec1->gridSlotSelIn dicatorsCGO, 0);
CGOFree(rec1->gridSlotSelIndicatorsCGO); CGOFree(rec1->gridSlotSelIndicatorsCGO);
rec1->gridSlotSelIndicatorsCGO = CGOOptimizeToVBONotI ndexed(drawArrayCGO, 0); rec1->gridSlotSelIndicatorsCGO = CGOOptimizeToVBONotI ndexedNoShader(drawArrayCGO, 0);
CGOFree(drawArrayCGO); CGOFree(drawArrayCGO);
rec1->gridSlotSelIndicatorsCGO->use_shader = true; rec1->gridSlotSelIndicatorsCGO->use_shader = true;
ExecutiveRenderIndicatorCGO(G, rec1->gridSlotSelIndic atorsCGO); ExecutiveRenderIndicatorCGO(G, rec1->gridSlotSelIndic atorsCGO);
} }
} }
} else if (rec1->gridSlotSelIndicatorsCGO){ } else {
CGOFree(rec1->gridSlotSelIndicatorsCGO); CGOFree(rec1->gridSlotSelIndicatorsCGO);
rec1->gridSlotSelIndicatorsCGO = NULL;
} }
} }
} }
} }
if (use_shader){ if (use_shader){
if (!slot){ if (!slot){
CGO *drawArrayCGO = NULL; CGO *drawArrayCGO = NULL;
CGOEnd(I->selIndicatorsCGO); CGOEnd(I->selIndicatorsCGO);
CGOStop(I->selIndicatorsCGO); CGOStop(I->selIndicatorsCGO);
drawArrayCGO = CGOCombineBeginEnd(I->selIndicatorsCGO, 0); drawArrayCGO = CGOCombineBeginEnd(I->selIndicatorsCGO, 0);
CGOFree(I->selIndicatorsCGO); CGOFree(I->selIndicatorsCGO);
I->selIndicatorsCGO = CGOOptimizeToVBONotIndexed(drawArrayCGO , 0); I->selIndicatorsCGO = CGOOptimizeToVBONotIndexedNoShader(draw ArrayCGO, 0);
CGOFree(drawArrayCGO); CGOFree(drawArrayCGO);
if (I->selIndicatorsCGO){ if (I->selIndicatorsCGO){
I->selIndicatorsCGO->use_shader = true; I->selIndicatorsCGO->use_shader = true;
return ExecutiveRenderSelections(G, curState, slot, grid); return ExecutiveRenderSelections(G, curState, slot, grid);
} else } else
return; return;
} }
} else { } else {
glEnd(); glEnd();
} }
skipping to change at line 9729 skipping to change at line 9800
} }
} }
/*========================================================================*/ /*========================================================================*/
int ExecutiveStereo(PyMOLGlobals * G, int flag) int ExecutiveStereo(PyMOLGlobals * G, int flag)
{ {
int ok = 1; int ok = 1;
int stereo_mode; int stereo_mode;
switch (flag) { switch (flag) {
case -3:
SettingSet(G, cSetting_chromadepth, 1);
SceneSetStereo(G, 0);
break;
case -1: case -1:
SettingSetGlobal_f(G, cSetting_stereo_shift, -SettingGetGlobal_f(G, cSetting _stereo_shift)); SettingSetGlobal_f(G, cSetting_stereo_shift, -SettingGetGlobal_f(G, cSetting _stereo_shift));
break; break;
default: /* -2 */ default: /* -2 */
if(G->HaveGUI) { SettingSet(G, cSetting_chromadepth, 0);
{
stereo_mode = SettingGetGlobal_i(G, cSetting_stereo_mode); stereo_mode = SettingGetGlobal_i(G, cSetting_stereo_mode);
switch (stereo_mode) { switch (stereo_mode) {
case 0: /* off */ case 0: /* off */
break; break;
case cStereo_quadbuffer: /* hardware stereo-in-a-window * / case cStereo_quadbuffer: /* hardware stereo-in-a-window * /
SceneSetStereo(G, flag); SceneSetStereo(G, flag);
#ifndef _PYMOL_NOPY #ifndef _PYMOL_NOPY
PSGIStereo(G, flag); /* does this have any effect anymore? */ PSGIStereo(G, flag); /* does this have any effect anymore? */
#endif #endif
break; break;
default: default:
SceneSetStereo(G, flag); SceneSetStereo(G, flag);
break; break;
} }
} }
} }
// for chromadepth
G->ShaderMgr->Set_Reload_Bits(RELOAD_VARIABLES);
SceneDirty(G); SceneDirty(G);
return (ok); return (ok);
} }
/*========================================================================*/ /*========================================================================*/
int ExecutiveRevalence(PyMOLGlobals * G, const char *s1, const char *s2, const c har *src, int ExecutiveRevalence(PyMOLGlobals * G, const char *s1, const char *s2, const c har *src,
int target_state, int source_state, int reset, int quiet) int target_state, int source_state, int reset, int quiet)
{ {
/* register CExecutive *I=G->Executive; */ /* register CExecutive *I=G->Executive; */
int ok = true; int ok = true;
skipping to change at line 9927 skipping to change at line 10007
ok_except1: ok_except1:
SelectorFreeTmp(G, sname1); SelectorFreeTmp(G, sname1);
SelectorFreeTmp(G, sname2); SelectorFreeTmp(G, sname2);
return ok; return ok;
} }
/*========================================================================*/ /*========================================================================*/
int ExecutiveAngle(PyMOLGlobals * G, float *result, const char *nam, int ExecutiveAngle(PyMOLGlobals * G, float *result, const char *nam,
const char *s1, const char *s2, const char *s3, int mode, const char *s1, const char *s2, const char *s3, int mode,
int labels, int reset, int zoom, int quiet, int state) int labels, int reset, int zoom, int quiet, int state,
int state1, int state2, int state3)
{ {
SelectorTmp tmpsele1(G, s1); SelectorTmp tmpsele1(G, s1);
SelectorTmp tmpsele2(G, s2); SelectorTmp tmpsele2(G, s2);
SelectorTmp tmpsele3(G, s3); SelectorTmp tmpsele3(G, s3);
int sele1 = tmpsele1.getIndex(); int sele1 = tmpsele1.getIndex();
int sele2 = (WordMatchExact(G, s2, cKeywordSame, true)) ? sele1 : tmpsele2.get Index(); int sele2 = (WordMatchExact(G, s2, cKeywordSame, true)) ? sele1 : tmpsele2.get Index();
int sele3 = (WordMatchExact(G, s3, cKeywordSame, true)) ? sele2 : tmpsele3.get Index(); int sele3 = (WordMatchExact(G, s3, cKeywordSame, true)) ? sele2 : tmpsele3.get Index();
ObjectDist *obj; ObjectDist *obj;
CObject *anyObj = NULL; CObject *anyObj = NULL;
skipping to change at line 9951 skipping to change at line 10032
anyObj = ExecutiveFindObjectByName(G, nam); anyObj = ExecutiveFindObjectByName(G, nam);
if(anyObj) { if(anyObj) {
if(anyObj->type != cObjectMeasurement) { if(anyObj->type != cObjectMeasurement) {
ExecutiveDelete(G, nam); ExecutiveDelete(G, nam);
anyObj = NULL; anyObj = NULL;
} }
} }
obj = ObjectDistNewFromAngleSele(G, (ObjectDist *) anyObj, obj = ObjectDistNewFromAngleSele(G, (ObjectDist *) anyObj,
sele1, sele2, sele3, sele1, sele2, sele3,
mode, labels, result, reset, state); mode, labels, result, reset, state,
state1, state2, state3);
if(!obj) { if(!obj) {
if(!quiet) if(!quiet)
ErrMessage(G, "ExecutiveAngle", "No angles found."); ErrMessage(G, "ExecutiveAngle", "No angles found.");
} else { } else {
*result = rad_to_deg(*result); *result = rad_to_deg(*result);
if(!anyObj) { if(!anyObj) {
ObjectSetName((CObject *) obj, nam); ObjectSetName((CObject *) obj, nam);
ExecutiveManageObject(G, (CObject *) obj, zoom, quiet); ExecutiveManageObject(G, (CObject *) obj, zoom, quiet);
ExecutiveSetRepVisib(G, nam, cRepLine, 1); ExecutiveSetRepVisib(G, nam, cRepLine, 1);
if(!labels) if(!labels)
skipping to change at line 10049 skipping to change at line 10131
* Create a distance measurement object * Create a distance measurement object
* *
* result: output pointer for measured distance in Angstrom * result: output pointer for measured distance in Angstrom
* nam: name of measurement object to create or add to * nam: name of measurement object to create or add to
* s1: selection expression * s1: selection expression
* s2: selection expression or "same" keyword (shortcut for s1 = s2) * s2: selection expression or "same" keyword (shortcut for s1 = s2)
* mode: 0 (any), 1 (bonds), 2 (hbonds), 3 (distance_exclusion), 4 (centroids) * mode: 0 (any), 1 (bonds), 2 (hbonds), 3 (distance_exclusion), 4 (centroids)
*/ */
int ExecutiveDist(PyMOLGlobals * G, float *result, const char *nam, int ExecutiveDist(PyMOLGlobals * G, float *result, const char *nam,
const char *s1, const char *s2, int mode, float cutoff, const char *s1, const char *s2, int mode, float cutoff,
int labels, int quiet, int reset, int state, int zoom) int labels, int quiet, int reset, int state, int zoom,
int state1, int state2)
{ {
SelectorTmp tmpsele1(G, s1); SelectorTmp tmpsele1(G, s1);
SelectorTmp tmpsele2(G, s2); SelectorTmp tmpsele2(G, s2);
int sele1 = tmpsele1.getIndex(); int sele1 = tmpsele1.getIndex();
int sele2 = (WordMatchExact(G, s2, cKeywordSame, true)) ? sele1 : tmpsele2.get Index(); int sele2 = (WordMatchExact(G, s2, cKeywordSame, true)) ? sele1 : tmpsele2.get Index();
ObjectDist *obj; ObjectDist *obj;
CObject *anyObj = NULL; CObject *anyObj = NULL;
*result = -1.0F; *result = -1.0F;
/* if the distance 'name' we provided exists, overwrite it, by deleting it by its base class */ /* if the distance 'name' we provided exists, overwrite it, by deleting it by its base class */
if((sele1 >= 0) && (sele2 >= 0)) { if((sele1 >= 0) && (sele2 >= 0)) {
anyObj = ExecutiveFindObjectByName(G, nam); anyObj = ExecutiveFindObjectByName(G, nam);
if(anyObj) if(anyObj)
if(reset || anyObj->type != cObjectMeasurement) { if(reset || anyObj->type != cObjectMeasurement) {
ExecutiveDelete(G, nam); ExecutiveDelete(G, nam);
anyObj = NULL; anyObj = NULL;
} }
/* create a new distance from the two selections */ /* create a new distance from the two selections */
obj = ObjectDistNewFromSele(G, (ObjectDist *) anyObj, obj = ObjectDistNewFromSele(G, (ObjectDist *) anyObj,
sele1, sele2, mode, cutoff, labels, reset, resul sele1, sele2, mode, cutoff, labels, reset, resul
t, state); t, state,
state1, state2);
/* could insert obj into sele1's mol's object's DistList and sele2's mol's o bject's DistList */ /* could insert obj into sele1's mol's object's DistList and sele2's mol's o bject's DistList */
/* if the distance was created, add it to the object list and manage it /* if the distance was created, add it to the object list and manage it
* otherwise, complain and do nothing */ * otherwise, complain and do nothing */
if(!obj) { if(!obj) {
if(!quiet) if(!quiet)
ErrMessage(G, "ExecutiveDistance", "No such distances found."); ErrMessage(G, "ExecutiveDistance", "No such distances found.");
} else { } else {
ObjectSetName((CObject *) obj, nam); ObjectSetName((CObject *) obj, nam);
ExecutiveManageObject(G, (CObject *) obj, zoom, quiet); ExecutiveManageObject(G, (CObject *) obj, zoom, quiet);
ExecutiveSetRepVisib(G, nam, cRepLine, 1); ExecutiveSetRepVisib(G, nam, cRepLine, 1);
skipping to change at line 10188 skipping to change at line 10272
} else if(obj->type != cObjectAlignment) { } else if(obj->type != cObjectAlignment) {
ErrMessage(G, " Executive", "invalid object type."); ErrMessage(G, " Executive", "invalid object type.");
} else { } else {
ObjectAlignmentAsStrVLA(G, (ObjectAlignment *) obj, state, format, &result ); ObjectAlignmentAsStrVLA(G, (ObjectAlignment *) obj, state, format, &result );
} }
} }
return (result); return (result);
} }
/*========================================================================*/ /*========================================================================*/
#ifndef _PYMOL_NOPY
// obsolete by MoleculeExporter
char *ExecutiveSeleToPDBStr(PyMOLGlobals * G, const char *s1, int state, int con
ectFlag,
int mode, const char *ref_object, int ref_state,
ObjectMolecule * single_object, int quiet)
{
char *result = NULL;
ObjectMoleculeOpRec op1;
int sele1;
char end_str[] = "END\n";
int model_count = 1;
int actual_state = 0;
int n_state = 1;
int a;
char model_record[50];
int count = 0, *counter = NULL;
double matrix[16], inverse[16], *ref_mat = NULL;
CObject *base = NULL;
PDBInfoRec pdb_info;
ObjectMolecule *obj = NULL;
if(ref_object) {
base = ExecutiveFindObjectByName(G, ref_object);
if(base) {
if(ref_state < -1) {
ref_state = state;
}
if(ref_state < 0) {
ref_state = ObjectGetCurrentState(base, true);
}
if(ObjectGetTotalMatrix(base, ref_state, true, matrix)) {
invert_special44d44d(matrix, inverse);
ref_mat = inverse;
}
}
}
UtilZeroMem((void *) &pdb_info, sizeof(PDBInfoRec));
ObjectMoleculeOpRecInit(&op1);
sele1 = SelectorIndexByName(G, s1);
if(sele1 >= 0) {
if(!single_object)
obj = SelectorGetSingleObjectMolecule(G, sele1);
else
obj = single_object;
if(obj)
if(obj->DiscreteFlag) {
counter = &count; /* discrete objects need atom counters between s
tates */
}
}
op1.i2 = 0;
op1.charVLA = VLAlloc(char, 10000);
if(state == -1) { /* multimodel PDB */
n_state = ExecutiveCountStates(G, s1);
sprintf(model_record, "NUMMDL %-4d\n", n_state);
{
ov_size len = op1.i2;
UtilConcatVLA(&op1.charVLA, &len, model_record);
op1.i2 = len;
}
}
if(mode == 1) {
pdb_info.variant = PDB_VARIANT_PQR;
pdb_info.pqr_workarounds = SettingGetGlobal_b(G, cSetting_pqr_workarounds);
}
for(a = 0; a < n_state; a++) {
switch (state) {
case -1: /* multimodel */
sprintf(model_record, "MODEL %4d\n", model_count++);
{
ov_size len = op1.i2;
UtilConcatVLA(&op1.charVLA, &len, model_record);
op1.i2 = len;
}
actual_state = a;
break;
case -2: /* single state */
actual_state = SceneGetState(G);
if((actual_state != 0) && (sele1 >= 0)
&& SettingGetGlobal_b(G, cSetting_static_singletons)) {
if(SelectorCountStates(G, sele1) == 1) {
actual_state = 0;
}
}
break;
default:
actual_state = state;
break;
}
if(conectFlag) {
op1.i2 = SelectorGetPDB(G, &op1.charVLA, op1.i2, sele1,
actual_state, conectFlag, &pdb_info, counter, ref_
mat,
single_object);
} else {
op1.i3 = 0; /* atIndex */
if(sele1 >= 0) {
op1.code = OMOP_PDB1;
op1.i1 = actual_state;
ExecutiveObjMolSeleOp(G, sele1, &op1);
}
}
switch (state) {
case -1:
{
ov_size len = op1.i2;
UtilConcatVLA(&op1.charVLA, &len, "ENDMDL\n");
op1.i2 = len;
}
break;
}
}
if((!(SettingGetGlobal_i(G, cSetting_pdb_no_end_record)))
&& !(pdb_info.is_pqr_file()))
/* terminate with END */
{
ov_size len = op1.i2;
UtilConcatVLA(&op1.charVLA, &len, end_str);
op1.i2 = len;
}
/* terminate (just in case) */
VLACheck(op1.charVLA, char, op1.i2 + 1);
op1.charVLA[op1.i2] = 0;
op1.i2++;
result = Alloc(char, op1.i2);
memcpy(result, op1.charVLA, op1.i2);
VLAFreeP(op1.charVLA);
return (result);
}
#endif
/*========================================================================*/
int ExecutiveSeleToObject(PyMOLGlobals * G, const char *name, const char *s1, int ExecutiveSeleToObject(PyMOLGlobals * G, const char *name, const char *s1,
int source, int target, int source, int target,
int discrete, int zoom, int quiet, int singletons, int copy_properties) int discrete, int zoom, int quiet, int singletons, int copy_properties)
{ {
SelectorTmp tmpsele1(G, s1); SelectorTmp tmpsele1(G, s1);
int sele1 = tmpsele1.getIndex(); int sele1 = tmpsele1.getIndex();
int ok = false; int ok = false;
ObjectNameType valid_name; ObjectNameType valid_name;
skipping to change at line 10864 skipping to change at line 10808
#ifdef _WEBGL #ifdef _WEBGL
#else #else
op1.s1 = expr; op1.s1 = expr;
op1.py_ob1 = space; op1.py_ob1 = space;
#endif #endif
op1.i2 = state; op1.i2 = state;
op1.i3 = read_only; op1.i3 = read_only;
op1.i4 = atomic_props; op1.i4 = atomic_props;
ExecutiveObjMolSeleOp(G, sele1, &op1); ExecutiveObjMolSeleOp(G, sele1, &op1);
} }
if(!read_only) {
#ifndef _PYMOL_NO_UNDO
#endif
// for dynamic_measures
ExecutiveUpdateCoordDepends(G, NULL);
}
if(!quiet) { if(!quiet) {
if(!read_only) { if(!read_only) {
PRINTFB(G, FB_Executive, FB_Actions) PRINTFB(G, FB_Executive, FB_Actions)
" AlterState: modified %i atom coordinate states.\n", op1.i1 ENDFB(G); " AlterState: modified %i atom coordinate states.\n", op1.i1 ENDFB(G);
} else { } else {
PRINTFB(G, FB_Executive, FB_Actions) PRINTFB(G, FB_Executive, FB_Actions)
" IterateState: iterated over %i atom coordinate states.\n", op1.i1 EN DFB(G); " IterateState: iterated over %i atom coordinate states.\n", op1.i1 EN DFB(G);
} }
} }
return op1.i1; return op1.i1;
skipping to change at line 11941 skipping to change at line 11891
if((mode == 0) && G->HaveGUI && SettingGetGlobal_b(G, cSetting_auto_copy_image s)) { if((mode == 0) && G->HaveGUI && SettingGetGlobal_b(G, cSetting_auto_copy_image s)) {
/* force deferred behavior if copying image to clipboard */ /* force deferred behavior if copying image to clipboard */
defer = 1; defer = 1;
} }
ExecutiveUpdateSceneMembers(G); ExecutiveUpdateSceneMembers(G);
if(defer && (mode == 0)) { if(defer && (mode == 0)) {
SceneDeferRay(G, width, height, mode, angle, shift, quiet, true, antialias); SceneDeferRay(G, width, height, mode, angle, shift, quiet, true, antialias);
} else { } else {
SceneDoRay(G, width, height, mode, NULL, NULL, angle, shift, quiet, NULL, tr ue, SceneRay(G, width, height, mode, NULL, NULL, angle, shift, quiet, NULL, true ,
antialias); antialias);
} }
return 1; return 1;
} }
/*========================================================================*/ /*========================================================================*/
int *ExecutiveGetG3d(PyMOLGlobals * G) int *ExecutiveGetG3d(PyMOLGlobals * G)
{ {
int *result = NULL; int *result = NULL;
SceneRay(G, 0, 0, 3, NULL, NULL, 0.0F, 0.0F, true, (G3dPrimitive **) (void *) &result, SceneRay(G, 0, 0, 3, NULL, NULL, 0.0F, 0.0F, true, (G3dPrimitive **) (void *) &result,
skipping to change at line 12319 skipping to change at line 12269
for(; bi != bi_end; ++bi) { for(; bi != bi_end; ++bi) {
if(!bi->has_setting) if(!bi->has_setting)
continue; continue;
ai1 = ai + bi->index[0]; ai1 = ai + bi->index[0];
ai2 = ai + bi->index[1]; ai2 = ai + bi->index[1];
if((SelectorIsMember(G, ai1->selEntry, sele1) && if((SelectorIsMember(G, ai1->selEntry, sele1) &&
SelectorIsMember(G, ai2->selEntry, sele2)) || SelectorIsMember(G, ai2->selEntry, sele2)) ||
(SelectorIsMember(G, ai2->selEntry, sele1) && (SelectorIsMember(G, ai2->selEntry, sele1) &&
SelectorIsMember(G, ai1->selEntry, sele2))) { SelectorIsMember(G, ai1->selEntry, sele2))) {
int uid = AtomInfoCheckUniqueBondID(G, bi); int uid = AtomInfoCheckUniqueBondID(G, bi);
if(!SettingUniqueSetTypedValue(G, uid, index, cSetting_blank, NULL )) if(!SettingUniqueUnset(G, uid, index))
continue; continue;
if(updates) if(updates)
side_effects = true; side_effects = true;
nSet++; nSet++;
} }
} }
if(nSet && !quiet) { if(nSet && !quiet) {
SettingGetName(G, index, name); SettingGetName(G, index, name);
PRINTF PRINTF
" Setting: %s unset for %d bonds in object \"%s\".\n", " Setting: %s unset for %d bonds in object \"%s\".\n",
skipping to change at line 12466 skipping to change at line 12416
case cSetting_int: case cSetting_int:
*(op.ii1) = PyInt_AsLong(value); *(op.ii1) = PyInt_AsLong(value);
op.i2 = cSetting_int; op.i2 = cSetting_int;
have_atomic_value = true; have_atomic_value = true;
break; break;
case cSetting_float: case cSetting_float:
*(float *) op.ii1 = (float) PyFloat_AsDouble(value); *(float *) op.ii1 = (float) PyFloat_AsDouble(value);
op.i2 = cSetting_float; op.i2 = cSetting_float;
have_atomic_value = true; have_atomic_value = true;
break; break;
case cSetting_float3:
{
PConvPyListOrTupleToFloatArrayInPlace(value, op.ttt, 3);
op.mat1 = op.ttt; // for passing (float**)
op.ii1 = (int*) &op.mat1;
op.i2 = cSetting_float3;
have_atomic_value = true;
}
break;
case cSetting_color: case cSetting_color:
{ {
int color_index = int color_index =
ColorGetIndex(G, PyString_AsString(value)); ColorGetIndex(G, PyString_AsString(value));
if((color_index < 0) && (color_index > cColorExtCutoff)) { if((color_index < 0) && (color_index > cColorExtCutoff)) {
switch (color_index) { switch (color_index) {
case cColorAtomic: case cColorAtomic:
color_index = -1; color_index = -1;
break; break;
case cColorFront: case cColorFront:
skipping to change at line 15129 skipping to change at line 15088
int pass = false; int pass = false;
int skip; int skip;
int ExecLineHeight = DIP2PIXEL(SettingGetGlobal_i(G, cSetting_internal_gui_con trol_size)); int ExecLineHeight = DIP2PIXEL(SettingGetGlobal_i(G, cSetting_internal_gui_con trol_size));
int hide_underscore = SettingGetGlobal_b(G, cSetting_hide_underscore_names); int hide_underscore = SettingGetGlobal_b(G, cSetting_hide_underscore_names);
int op_cnt = get_op_cnt(G); int op_cnt = get_op_cnt(G);
if(y < I->HowFarDown) { if(y < I->HowFarDown) {
if(SettingGetGlobal_b(G, cSetting_internal_gui_mode) == 1) if(SettingGetGlobal_b(G, cSetting_internal_gui_mode) == 1)
return SceneDeferClick(SceneGetBlock(G), button, x, y, mod); return SceneDeferClick(SceneGetBlock(G), button, x, y, mod);
} }
switch(button) {
case P_GLUT_BUTTON_SCROLL_FORWARD:
ScrollBarMoveBy(I->ScrollBar, -1);
return 1;
case P_GLUT_BUTTON_SCROLL_BACKWARD:
ScrollBarMoveBy(I->ScrollBar, 1);
return 1;
}
n = ((I->Block->rect.top - y) - (ExecTopMargin + ExecClickMargin)) / ExecLineH eight; n = ((I->Block->rect.top - y) - (ExecTopMargin + ExecClickMargin)) / ExecLineH eight;
a = n; a = n;
xx = (x - I->Block->rect.left); xx = (x - I->Block->rect.left);
if(I->ScrollBarActive) { if(I->ScrollBarActive) {
if((x - I->Block->rect.left) < if((x - I->Block->rect.left) <
(ExecScrollBarWidth + ExecScrollBarMargin + ExecToggleMargin)) { (ExecScrollBarWidth + ExecScrollBarMargin + ExecToggleMargin)) {
pass = 1; pass = 1;
ScrollBarDoClick(I->ScrollBar, button, x, y, mod); ScrollBarDoClick(I->ScrollBar, button, x, y, mod);
} }
xx -= (ExecScrollBarWidth + ExecScrollBarMargin); xx -= (ExecScrollBarWidth + ExecScrollBarMargin);
skipping to change at line 16503 skipping to change at line 16472
c = rec->obj->fGetCaption(rec->obj, ch, WordLength); c = rec->obj->fGetCaption(rec->obj, ch, WordLength);
} }
/* now print the caption */ /* now print the caption */
if(c && c[0] && nChar > 1 && strcmp(c, rec->obj->Name) != 0) { if(c && c[0] && nChar > 1 && strcmp(c, rec->obj->Name) != 0) {
TextSetColor(G, captionColor); TextSetColor(G, captionColor);
TextSetPos2i(G, x + DIP2PIXEL(2) + DIP2PIXEL(8) * (max_char - nC har), y2 + text_lift); TextSetPos2i(G, x + DIP2PIXEL(2) + DIP2PIXEL(8) * (max_char - nC har), y2 + text_lift);
if((nChar--) > 0) if((nChar--) > 0)
TextDrawChar(G, ' ' ORTHOCGOARGVAR); TextDrawChar(G, ' ' ORTHOCGOARGVAR);
while(*c && nChar > 0) { while(*c && nChar > 0) {
/* allow color encoding for names */ /* allow color encoding for names */
if((*c == '\\') && (*(c + 1)) && (*(c + 2)) && (*(c + 3))) { if(TextSetColorFromCode(G, c, captionColor)) {
TextSetColor3f(G, (*(c + 1) - '0') / 9.0F, (*(c + 2) - '0')
/ 9.0F,
(*(c + 3) - '0') / 9.0F);
c += 4; c += 4;
} else { } else {
TextDrawChar(G, *(c++) ORTHOCGOARGVAR); TextDrawChar(G, *(c++) ORTHOCGOARGVAR);
--nChar; --nChar;
} }
} }
} }
} }
} }
skipping to change at line 16590 skipping to change at line 16557
if(pattern && (!pattern[0])) if(pattern && (!pattern[0]))
pattern = NULL; pattern = NULL;
if(!pattern) { if(!pattern) {
switch (what) { switch (what) {
case 0: /* everything */ case 0: /* everything */
ExecutiveDelete(G, cKeywordAll); ExecutiveDelete(G, cKeywordAll);
ColorReset(G); ColorReset(G);
SettingInitGlobal(G, false, false, true); SettingInitGlobal(G, false, false, true);
ColorUpdateFrontFromSettings(G);
MovieReset(G); MovieReset(G);
EditorInactivate(G); EditorInactivate(G);
ControlRock(G, 0); ControlRock(G, 0);
OrthoReshape(G, -1, -1, false); OrthoReshape(G, -1, -1, false);
MovieScenesInit(G); MovieScenesInit(G);
#ifndef _PYMOL_NOPY #ifndef _PYMOL_NOPY
blocked = PAutoBlock(G); blocked = PAutoBlock(G);
PRunStringInstance(G, "cmd.view('*','clear')"); PRunStringInstance(G, "cmd.view('*','clear')");
PRunStringInstance(G, "cmd.config_mouse(\"three_button\")"); PRunStringInstance(G, "cmd.config_mouse(\"three_button\")");
 End of changes. 46 change blocks. 
196 lines changed or deleted 158 lines changed or added
To the C++ Programs section of the PyMOL source changes report or the top of this page
Mainly generated by pkgdiff using rfcdiff
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