Skip to content

Commit

Permalink
enum cAtomProtected_* (#316)
Browse files Browse the repository at this point in the history
  • Loading branch information
@speleo3
speleo3 committed Sep 25, 2023
1 parent 18d7e33 commit d59041b
Show file tree
Hide file tree
Showing 5 changed files with 21 additions and 14 deletions.
6 changes: 3 additions & 3 deletions layer1/SceneMouse.cpp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -538,7 +538,7 @@ void SceneClickPickBond(PyMOLGlobals* G, int x, int y, int mode, const NamedPick
I->SculptingFlag = 1;
I->SculptingSave =
obj->AtomInfo[LastPicked.src.index].protekted;
obj->AtomInfo[LastPicked.src.index].protekted = 2;
obj->AtomInfo[LastPicked.src.index].protekted = cAtomProtected_drag;
}
WizardDoPick(G, 1, LastPicked.context.state);
} else {
Expand Down Expand Up @@ -713,7 +713,7 @@ static int SceneClick(
G, button, mod); /* trying to work around something... */

I->Button = button;
I->SculptingSave = 0;
I->SculptingSave = cAtomProtected_off;
switch (mode) {
case cButModeScaleSlabExpand:
SceneNoteMouseInteraction(G);
Expand Down Expand Up @@ -995,7 +995,7 @@ static int SceneClick(
I->SculptingFlag = 1;
I->SculptingSave =
objMol->AtomInfo[I->LastPicked.src.index].protekted;
objMol->AtomInfo[I->LastPicked.src.index].protekted = 2;
objMol->AtomInfo[I->LastPicked.src.index].protekted = cAtomProtected_drag;
}
}
break;
Expand Down
6 changes: 6 additions & 0 deletions layer2/AtomInfo.h
View file
Original file line number Diff line number Diff line change
Expand Up @@ -35,6 +35,12 @@ Z* -------------------------------------------------------------------
#define BondInfoVERSION 181
#endif

enum {
cAtomProtected_off = 0,
cAtomProtected_explicit = 1,
cAtomProtected_drag = 2,
};

/* FLAGS 0-3 have the following conventional usage for molecular modeling */


Expand Down
8 changes: 4 additions & 4 deletions layer2/ObjectMolecule.cpp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -6291,7 +6291,7 @@ int ObjectMoleculeTransformSelection(ObjectMolecule * I, int state,
ai = I->AtomInfo;
for(a = 0; a < I->NAtom; a++) {
s = ai->selEntry;
if(!(ai->protekted == 1))
if(!(ai->protekted == cAtomProtected_explicit))
if(SelectorIsMember(G, s, sele)) {
if(homogenous)
CoordSetTransformAtomR44f(cs, a, matrix);
Expand All @@ -6305,7 +6305,7 @@ int ObjectMoleculeTransformSelection(ObjectMolecule * I, int state,
if(!use_matrices) {
ai = I->AtomInfo;
for(a = 0; a < I->NAtom; a++) {
if(!(ai->protekted == 1)) {
if(!(ai->protekted == cAtomProtected_explicit)) {
if(homogenous)
CoordSetTransformAtomR44f(cs, a, matrix);
else
Expand Down Expand Up @@ -10708,7 +10708,7 @@ int ObjectMoleculeMoveAtom(ObjectMolecule * I, int state, int index, const float
int result = 0;
PyMOLGlobals *G = I->G;
CoordSet *cs;
if(!(I->AtomInfo[index].protekted == 1)) {
if(!(I->AtomInfo[index].protekted == cAtomProtected_explicit)) {
if(state < 0)
state = 0;
if(I->NCSet == 1)
Expand Down Expand Up @@ -10741,7 +10741,7 @@ int ObjectMoleculeMoveAtomLabel(ObjectMolecule * I, int state, int index, float
{
int result = 0;
CoordSet *cs;
if(!(I->AtomInfo[index].protekted == 1)) {
if(!(I->AtomInfo[index].protekted == cAtomProtected_explicit)) {
if(state < 0)
state = 0;
if(I->NCSet == 1)
Expand Down
9 changes: 5 additions & 4 deletions layer2/Sculpt.cpp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -1785,7 +1785,7 @@ float SculptIterateObject(CSculpt * I, ObjectMolecule * obj,
a = *(a_ptr++);
{
AtomInfoType *ai = obj->AtomInfo + a;
if((ai->protekted != 1) && !(ai->flags & cAtomFlag_fix)) {
if((ai->protekted != cAtomProtected_explicit) && !(ai->flags & cAtomFlag_fix)) {
v2 = cs_coord + 3 * atm2idx[a];
center[4] += *(v2);
center[5] += *(v2 + 1);
Expand Down Expand Up @@ -2157,7 +2157,8 @@ float SculptIterateObject(CSculpt * I, ObjectMolecule * obj,
a1 = atm2idx[b1];
v1 = cs_coord + 3 * a1;
if(vdw_vis_mode && cgo && (n_cycle < 1)
&& ((!((ai0->protekted && ai1->protekted)
&& ((!((ai0->protekted != cAtomProtected_off &&
ai1->protekted != cAtomProtected_off)
|| (ai0->flags & ai1->flags & cAtomFlag_fix))
) || (ai0->flags & cAtomFlag_study)
|| (ai1->flags & cAtomFlag_study))) {
Expand Down Expand Up @@ -2299,7 +2300,7 @@ float SculptIterateObject(CSculpt * I, ObjectMolecule * obj,
AtomInfoType *ai = obj->AtomInfo + a;
const RefPosType *cs_refpos = cs->RefPos.data();
int flags;
if(!(ai->protekted || ((flags = ai->flags) & cAtomFlag_fix))) {
if(!(ai->protekted != cAtomProtected_off || ((flags = ai->flags) & cAtomFlag_fix))) {
v1 = disp + 3 * a;
v2 = cs_coord + 3 * atm2idx[a];

Expand Down Expand Up @@ -2336,7 +2337,7 @@ float SculptIterateObject(CSculpt * I, ObjectMolecule * obj,
int a = *(a_ptr++);
{
AtomInfoType *ai = obj->AtomInfo + a;
if((ai->protekted != 1) && !(ai->flags & cAtomFlag_fix)) {
if((ai->protekted != cAtomProtected_explicit) && !(ai->flags & cAtomFlag_fix)) {
v2 = cs_coord + 3 * atm2idx[a];
center[0] += *(v2);
center[1] += *(v2 + 1);
Expand Down
6 changes: 3 additions & 3 deletions layer3/Selector.cpp
View file
Original file line number Diff line number Diff line change
Expand Up @@ -4013,7 +4013,7 @@ int SelectorWalkTree(PyMOLGlobals * G, int *atom, int *comp, int *toDo, int **st
SelectorIsMember(G, s, sele1) || SelectorIsMember(G, s, sele2) ||
SelectorIsMember(G, s, sele3) || SelectorIsMember(G, s, sele4);
if(!seleFlag) {
if(!(ai->protekted == 1)) { /* if not explicitly protected... */
if(!(ai->protekted == cAtomProtected_explicit)) { /* if not explicitly protected... */
atom[a] = 1; /* mark this atom into the selection */
comp[a] = 1;
}
Expand Down Expand Up @@ -4090,7 +4090,7 @@ static int SelectorWalkTreeDepth(PyMOLGlobals * G, int *atom, int *comp, int *to

if(!seleFlag) {
toDo[a] = 0;
if(!(ai->protekted == 1)) { /* if not explicitly protected... */
if(!(ai->protekted == cAtomProtected_explicit)) { /* if not explicitly protected... */
atom[a] = 1; /* mark this atom into the selection */
comp[a] = 1;
}
Expand Down Expand Up @@ -7583,7 +7583,7 @@ static int SelectorSelect0(PyMOLGlobals * G, EvalElem * passed_base)
break;
case SELE_PTDz:
for(a = cNDummyAtoms; a < I->Table.size(); a++)
base[0].sele[a] = I->Obj[I->Table[a].model]->AtomInfo[I->Table[a].atom].protekted;
base[0].sele[a] = I->Obj[I->Table[a].model]->AtomInfo[I->Table[a].atom].protekted != cAtomProtected_off;
break;
case SELE_MSKz:
for(a = cNDummyAtoms; a < I->Table.size(); a++)
Expand Down

0 comments on commit d59041b

Please sign in to comment.