"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer2/ObjectDist.cpp" between
pymol-open-source-2.2.0.tar.gz and pymol-open-source-2.3.0.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.

[ To the main PyMOL source changes report ]

ObjectDist.cpp  (pymol-open-source-2.2.0):ObjectDist.cpp  (pymol-open-source-2.3.0)
skipping to change at line 38 skipping to change at line 38
#include"Scene.h" #include"Scene.h"
#include"Ray.h" #include"Ray.h"
#include"ObjectDist.h" #include"ObjectDist.h"
#include"Selector.h" #include"Selector.h"
#include"PConv.h" #include"PConv.h"
#include"ObjectMolecule.h" #include"ObjectMolecule.h"
#include"Feedback.h" #include"Feedback.h"
#include"DistSet.h" #include"DistSet.h"
#include"ListMacros.h" #include"ListMacros.h"
void ObjectDistFree(ObjectDist * I); static void ObjectDistFree(ObjectDist * I);
void ObjectDistUpdate(ObjectDist * I); static void ObjectDistUpdate(ObjectDist * I);
int ObjectDistGetNFrames(ObjectDist * I); static int ObjectDistGetNFrames(ObjectDist * I);
void ObjectDistUpdateExtents(ObjectDist * I); static void ObjectDistUpdateExtents(ObjectDist * I);
int ObjectDistGetLabelTxfVertex(ObjectDist * I, int state, int index, float *v) int ObjectDistGetLabelTxfVertex(ObjectDist * I, int state, int index, float *v)
{ {
int result = 0; int result = 0;
if(I->DSet) { if(I->DSet) {
if(state < 0) if(state < 0)
state = SettingGet_i(I->Obj.G, NULL, I->Obj.Setting, cSetting_state) - 1; state = SettingGet_i(I->Obj.G, NULL, I->Obj.Setting, cSetting_state) - 1;
if(state < 0) if(state < 0)
state = SceneGetState(I->Obj.G); state = SceneGetState(I->Obj.G);
if(I->NDSet == 1) if(I->NDSet == 1)
skipping to change at line 439 skipping to change at line 439
I->DSet[a]->invalidateRep(rep, cRepInvAll); I->DSet[a]->invalidateRep(rep, cRepInvAll);
} }
} }
/*========================================================================*/ /*========================================================================*/
static void ObjectDistRender(ObjectDist * I, RenderInfo * info) static void ObjectDistRender(ObjectDist * I, RenderInfo * info)
{ {
int state = info->state; int state = info->state;
int pass = info->pass; int pass = info->pass;
CRay *ray = info->ray; CRay *ray = info->ray;
Picking **pick = info->pick; auto pick = info->pick;
bool shouldRender = false; bool shouldRender = false;
if(ray || pick) { if(ray || pick) {
shouldRender = true; shouldRender = true;
} else { } else {
shouldRender = pass != 0; // distance measurements should render shouldRender = pass != 0; // distance measurements should render
// both in opaque and transparency loop, // both in opaque and transparency loop,
// the rep decides based on transparency // the rep decides based on transparency
// whether it renders in that loop. // whether it renders in that loop.
} }
skipping to change at line 463 skipping to change at line 463
ObjectPrepareContext(&I->Obj, info); ObjectPrepareContext(&I->Obj, info);
for(StateIterator iter(I->Obj.G, I->Obj.Setting, state, I->NDSet); for(StateIterator iter(I->Obj.G, I->Obj.Setting, state, I->NDSet);
iter.next();) { iter.next();) {
DistSet * ds = I->DSet[iter.state]; DistSet * ds = I->DSet[iter.state];
if(ds) if(ds)
ds->render(info); ds->render(info);
} }
} }
#if 0
static CSetting **ObjectDistGetSettingHandle(ObjectDist * I, int state) static CSetting **ObjectDistGetSettingHandle(ObjectDist * I, int state)
{ {
if(state < 0) { if(state < 0) {
return (&I->Obj.Setting); return (&I->Obj.Setting);
} else { } else {
return (NULL); return (NULL);
} }
} }
#endif
static void ObjectDistInvalidate(CObject * Iarg, int rep, int level, int state){ static void ObjectDistInvalidate(CObject * Iarg, int rep, int level, int state){
ObjectDist * I = (ObjectDist*)Iarg; ObjectDist * I = (ObjectDist*)Iarg;
for(StateIterator iter(I->Obj.G, I->Obj.Setting, state, I->NDSet); for(StateIterator iter(I->Obj.G, I->Obj.Setting, state, I->NDSet);
iter.next();) { iter.next();) {
DistSet * ds = I->DSet[iter.state]; DistSet * ds = I->DSet[iter.state];
if(ds) if(ds)
ds->invalidateRep(rep, level); ds->invalidateRep(rep, level);
} }
} }
skipping to change at line 571 skipping to change at line 573
mn = 0; mn = 0;
SelectorUpdateTable(G, state, -1); SelectorUpdateTable(G, state, -1);
/* here we determine the highest number of states with which we need to concer n ourselves */ /* here we determine the highest number of states with which we need to concer n ourselves */
n_state1 = SelectorGetSeleNCSet(G, sele1); n_state1 = SelectorGetSeleNCSet(G, sele1);
n_state2 = SelectorGetSeleNCSet(G, sele2); n_state2 = SelectorGetSeleNCSet(G, sele2);
/* take the larger state count */ /* take the larger state count */
mn = (n_state2>n_state1) ? n_state2 : n_state1; mn = (n_state2>n_state1) ? n_state2 : n_state1;
/* updated state handling */ /* updated state handling */
/* determine the selected object */
frozen1 = checkFrozenState(G, sele1, state1); frozen1 = checkFrozenState(G, sele1, state1);
frozen2 = checkFrozenState(G, sele2, state2); frozen2 = checkFrozenState(G, sele2, state2);
/* FIX for incorrectly handling state=-1 for multi-molecule selections */ /* FIX for incorrectly handling state=-1 for multi-molecule selections */
if(state1<0) state1=0; if(state1<0) state1=0;
if(state2<0) state2=0; if(state2<0) state2=0;
if(mn) { if(mn) {
/* loop over the max number of states */ /* loop over the max number of states */
for(a = 0; a < mn; a++) { for(a = 0; a < mn; a++) {
skipping to change at line 669 skipping to change at line 670
/* figure out the total number of states */ /* figure out the total number of states */
mn = n_state1; mn = n_state1;
if(n_state2 > mn) if(n_state2 > mn)
mn = n_state2; mn = n_state2;
if(n_state3 > mn) if(n_state3 > mn)
mn = n_state3; mn = n_state3;
/* updated state handling */ /* updated state handling */
/* determine the selected object */
frozen1 = checkFrozenState(G, sele1, state1); frozen1 = checkFrozenState(G, sele1, state1);
frozen2 = checkFrozenState(G, sele2, state2); frozen2 = checkFrozenState(G, sele2, state2);
frozen3 = checkFrozenState(G, sele3, state3); frozen3 = checkFrozenState(G, sele3, state3);
if(mn) { if(mn) {
for(a = 0; a < mn; a++) { for(a = 0; a < mn; a++) {
if(state >= 0) { if(state >= 0) {
if(state > mn) if(state > mn)
break; break;
a = state; a = state;
skipping to change at line 736 skipping to change at line 736
} }
ObjectDist *ObjectDistNewFromDihedralSele(PyMOLGlobals * G, ObjectDist * oldObj, ObjectDist *ObjectDistNewFromDihedralSele(PyMOLGlobals * G, ObjectDist * oldObj,
int sele1, int sele2, int sele3, int s ele4, int sele1, int sele2, int sele3, int s ele4,
int mode, int labels, float *result, int mode, int labels, float *result,
int reset, int state) int reset, int state)
{ {
int a, mn; int a, mn;
float angle_sum = 0.0; float angle_sum = 0.0;
int angle_cnt = 0; int angle_cnt = 0;
int n_state1, n_state2, n_state3, n_state4, state1, state2, state3, state4; int n_state1, n_state2, n_state3, n_state4;
int state1 = -1, state2 = -1, state3 = -1, state4 = -1;
ObjectDist *I; ObjectDist *I;
int frozen1=-1, frozen2=-1, frozen3=-1, frozen4=-1; int frozen1=-1, frozen2=-1, frozen3=-1, frozen4=-1;
CObject * query_obj = NULL;
if(!oldObj) /* create object if new */ if(!oldObj) /* create object if new */
I = ObjectDistNew(G); I = ObjectDistNew(G);
else { /* otherwise, use existing object */ else { /* otherwise, use existing object */
I = oldObj; I = oldObj;
if(reset) { /* if reseting, then clear out all existing coor dinate sets */ if(reset) { /* if reseting, then clear out all existing coor dinate sets */
ObjectDistReset(G, I); ObjectDistReset(G, I);
} }
} }
*result = 0.0; *result = 0.0;
skipping to change at line 772 skipping to change at line 772
mn = n_state1; mn = n_state1;
if(n_state2 > mn) if(n_state2 > mn)
mn = n_state2; mn = n_state2;
if(n_state3 > mn) if(n_state3 > mn)
mn = n_state3; mn = n_state3;
if(n_state4 > mn) if(n_state4 > mn)
mn = n_state4; mn = n_state4;
/* updated state handling */ /* updated state handling */
/* determine the selected object */ frozen1 = checkFrozenState(G, sele1, state1);
if(sele1 >= 0) frozen2 = checkFrozenState(G, sele2, state2);
query_obj = (CObject*) SelectorGetSingleObjectMolecule(G, sele1); frozen3 = checkFrozenState(G, sele3, state3);
if(query_obj) { frozen4 = checkFrozenState(G, sele4, state4);
frozen1 = SettingGetIfDefined_i(query_obj->G, query_obj->Setting, cSetting_s
tate, &state1);
state1--;
}
/* updated state handling */
/* determine the selected object */
if(sele2 >= 0)
query_obj = (CObject*) SelectorGetSingleObjectMolecule(G, sele2);
if(query_obj) {
frozen2 = SettingGetIfDefined_i(query_obj->G, query_obj->Setting, cSetting_s
tate, &state2);
state2--;
}
/* updated state handling */
/* determine the selected object */
if(sele3 >= 0)
query_obj = (CObject*) SelectorGetSingleObjectMolecule(G, sele3);
if(query_obj) {
frozen3 = SettingGetIfDefined_i(query_obj->G, query_obj->Setting, cSetting_s
tate, &state3);
state3--;
}
/* updated state handling */
/* determine the selected object */
if(sele4 >= 0)
query_obj = (CObject*) SelectorGetSingleObjectMolecule(G, sele4);
if(query_obj) {
frozen4 = SettingGetIfDefined_i(query_obj->G, query_obj->Setting, cSetting_s
tate, &state4);
state4--;
}
if(mn) { if(mn) {
for(a = 0; a < mn; a++) { for(a = 0; a < mn; a++) {
if(state >= 0) { if(state >= 0) {
if(state > mn) if(state > mn)
break; break;
a = state; a = state;
} }
/* treat selections with one state as static singletons */ /* treat selections with one state as static singletons */
 End of changes. 9 change blocks. 
44 lines changed or deleted 13 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
Home  |  About  |  Features  |  All  |  Newest  |  Dox  |  Diffs  |  RSS Feeds  |  Screenshots  |  Comments  |  Imprint  |  Privacy  |  HTTP(S)