Rep *RepLabelNew(CoordSet * cs, int state)
{
PyMOLGlobals *G = cs->State.G;
ObjectMolecule *obj;
int a, a1, vFlag, c1;
float *v, *v0, *vc;
float *lab_pos;
int *l;
int label_color;
LabPosType *lp = NULL;
Pickable *rp = NULL;
AtomInfoType *ai;
OOAlloc(G, RepLabel);
obj = cs->Obj;
vFlag = false;
if(obj->RepVisCache[cRepLabel])
for(a = 0; a < cs->NIndex; a++) {
if(obj->AtomInfo[cs->IdxToAtm[a]].visRep[cRepLabel]) {
vFlag = true;
break;
}
}
if(!vFlag) {
OOFreeP(I);
return (NULL); /* skip if no label are visible */
}
label_color = SettingGet_i(G, cs->Setting, obj->Obj.Setting, cSetting_label_color);
RepInit(G, &I->R);
obj = cs->Obj;
I->R.fRender = (void (*)(struct Rep *, RenderInfo *)) RepLabelRender;
I->R.fFree = (void (*)(struct Rep *)) RepLabelFree;
I->R.fRecolor = NULL;
I->R.obj = (CObject *) obj;
I->R.cs = cs;
I->R.context.object = (void *) obj;
I->R.context.state = state;
/* raytracing primitives */
I->L = Alloc(int, cs->NIndex);
ErrChkPtr(G, I->L);
I->V = (float *) mmalloc(sizeof(float) * cs->NIndex * 9);
ErrChkPtr(G, I->V);
I->OutlineColor =
SettingGet_i(G, cs->Setting, obj->Obj.Setting, cSetting_label_outline_color);
lab_pos = SettingGet_3fv(G, cs->Setting, obj->Obj.Setting, cSetting_label_position);
if(SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_pickable)) {
I->R.P = Alloc(Pickable, cs->NIndex + 1);
ErrChkPtr(G, I->R.P);
rp = I->R.P + 1; /* skip first record! */
}
I->N = 0;
v = I->V;
l = I->L;
for(a = 0; a < cs->NIndex; a++) {
a1 = cs->IdxToAtm[a];
ai = obj->AtomInfo + a1;
if(cs->LabPos) {
lp = cs->LabPos + a;
}
if(ai->visRep[cRepLabel] && (ai->label)) {
int at_label_color;
AtomInfoGetSetting_color(G, ai, cSetting_label_color, label_color, &at_label_color);
/*
float at_label_pos = lab_pos;
AtomInfoGetSetting_3fv(G, ai, cSetting_label_position,
label_pos, &at_label_pos);
*/
I->N++;
if((at_label_color >= 0) ||
(at_label_color == cColorFront) || (at_label_color == cColorBack))
c1 = at_label_color;
else
c1 = *(cs->Color + a);
vc = ColorGet(G, c1); /* save new color */
*(v++) = *(vc++);
*(v++) = *(vc++);
*(v++) = *(vc++);
v0 = cs->Coord + 3 * a;
*(v++) = *(v0++);
*(v++) = *(v0++);
*(v++) = *(v0++);
if(lp) {
switch (lp->mode) {
case 1: /* local absolute positioning, global relative */
add3f(lp->offset, v - 3, v - 3);
copy3f(lab_pos, v);
break;
default:
copy3f(lab_pos, v);
break;
}
} else {
copy3f(lab_pos, v);
}
v += 3;
if(rp) {
rp->index = a1;
rp->bond = cPickableLabel; /* label indicator */
rp++;
}
*(l++) = ai->label;
}
}
if(I->N) {
I->V = ReallocForSure(I->V, float, (v - I->V));
I->L = ReallocForSure(I->L, int, (l - I->L));
if(rp) {
I->R.P = ReallocForSure(I->R.P, Pickable, (rp - I->R.P));
I->R.P[0].index = I->N; /* unnec? */
}
} else {
void RepWireBondRenderImmediate(CoordSet * cs, RenderInfo * info)
{
/* performance optimized, so it does not support the following:
- anything other than opengl
- display of bond valences
- per-bond & per-atom properties, including color and line-width
- half-bonds
- helper settings such as cartoon_side_chain_helper
- suppression of long bonds
- color ramps
- atom picking
- display lists
- transparency
*/
PyMOLGlobals *G = cs->State.G;
if(info->ray || info->pick || (!(G->HaveGUI && G->ValidContext)))
return;
else {
int active = false;
ObjectMolecule *obj = cs->Obj;
float line_width, line_width_setting =
SettingGet_f(G, cs->Setting, obj->Obj.Setting, cSetting_line_width);
line_width = SceneGetDynamicLineWidth(info, line_width_setting);
if(info->width_scale_flag)
glLineWidth(line_width * info->width_scale);
else
glLineWidth(line_width);
SceneResetNormal(G, true);
if(!info->line_lighting)
glDisable(GL_LIGHTING);
glBegin(GL_LINES);
{
int a;
int nBond = obj->NBond;
BondType *bd = obj->Bond;
AtomInfoType *ai = obj->AtomInfo;
int *atm2idx = cs->AtmToIdx;
int discreteFlag = obj->DiscreteFlag;
int last_color = -9;
float *coord = cs->Coord;
const float _pt5 = 0.5F;
for(a = 0; a < nBond; a++) {
int b1 = bd->index[0];
int b2 = bd->index[1];
AtomInfoType *ai1, *ai2;
bd++;
if(GET_BIT((ai1 = ai + b1)->visRep,cRepLine) && GET_BIT((ai2 = ai + b2)->visRep,cRepLine)) {
int a1, a2;
active = true;
if(discreteFlag) {
/* not optimized */
if((cs == obj->DiscreteCSet[b1]) && (cs == obj->DiscreteCSet[b2])) {
a1 = obj->DiscreteAtmToIdx[b1];
a2 = obj->DiscreteAtmToIdx[b2];
} else {
a1 = -1;
a2 = -1;
}
} else {
a1 = atm2idx[b1];
a2 = atm2idx[b2];
}
if((a1 >= 0) && (a2 >= 0)) {
int c1 = ai1->color;
int c2 = ai2->color;
float *v1 = coord + 3 * a1;
float *v2 = coord + 3 * a2;
if(c1 == c2) { /* same colors -> one line */
if(c1 != last_color) {
last_color = c1;
glColor3fv(ColorGet(G, c1));
}
glVertex3fv(v1);
glVertex3fv(v2); /* we done */
} else { /* different colors -> two lines */
float avg[3];
avg[0] = (v1[0] + v2[0]) * _pt5;
avg[1] = (v1[1] + v2[1]) * _pt5;
avg[2] = (v1[2] + v2[2]) * _pt5;
if(c1 != last_color) {
last_color = c1;
glColor3fv(ColorGet(G, c1));
}
glVertex3fv(v1);
glVertex3fv(avg);
if(c2 != last_color) {
last_color = c2;
glColor3fv(ColorGet(G, c2));
}
glVertex3fv(avg);
glVertex3fv(v2);
}
}
}
}
}
glEnd();
glEnable(GL_LIGHTING);
if(!active)
cs->Active[cRepLine] = false;
}
}
