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/*
A* -------------------------------------------------------------------
B* This file contains source code for the PyMOL computer program
C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific.
D* -------------------------------------------------------------------
E* It is unlawful to modify or remove this copyright notice.
F* -------------------------------------------------------------------
G* Please see the accompanying LICENSE file for further information.
H* -------------------------------------------------------------------
I* Additional authors of this source file include:
-*
-*
-*
Z* -------------------------------------------------------------------
*/
#include"os_python.h"
#include"os_predef.h"
#include"os_std.h"
#include"os_gl.h"
#include"Base.h"
#include"OOMac.h"
#include"RepNonbondedSphere.h"
#include"Color.h"
#include"Sphere.h"
#include"Setting.h"
#include"main.h"
#include"ShaderMgr.h"
#include"Scene.h"
#include"CGO.h"
typedef struct RepNonbondedSphere {
Rep R;
CGO *shaderCGO, *primitiveCGO;
} RepNonbondedSphere;
#include"ObjectMolecule.h"
static
void RepNonbondedSphereFree(RepNonbondedSphere * I)
{
if (I->shaderCGO){
CGOFree(I->shaderCGO);
I->shaderCGO = 0;
}
if (I->primitiveCGO){
CGOFree(I->primitiveCGO);
I->primitiveCGO = 0;
}
RepPurge(&I->R);
OOFreeP(I);
}
static void RepNonbondedSphereRender(RepNonbondedSphere * I, RenderInfo * info)
{
CRay *ray = info->ray;
auto pick = info->pick;
PyMOLGlobals *G = I->R.G;
if(ray) {
#ifndef _PYMOL_NO_RAY
CGORenderRay(I->primitiveCGO, ray, info, NULL, NULL, I->R.cs->Setting, I->R.obj->Setting);
#endif
} else if(G->HaveGUI && G->ValidContext) {
if(pick) {
if (I->shaderCGO){
CGORenderGLPicking(I->shaderCGO, info, &I->R.context, I->R.cs->Setting, I->R.obj->Setting);
} else if (I->primitiveCGO){
CGORenderGLPicking(I->primitiveCGO, info, &I->R.context, I->R.cs->Setting, I->R.obj->Setting);
}
} else { /* rendering */
short use_shader, use_sphere_shader;
use_shader = SettingGetGlobal_i(G, cSetting_nb_spheres_use_shader) &&
SettingGetGlobal_b(G, cSetting_use_shaders);
use_sphere_shader = (SettingGetGlobal_i(G, cSetting_nb_spheres_use_shader)==1) &&
SettingGetGlobal_b(G, cSetting_use_shaders);
if (I->shaderCGO){
if (!use_shader || use_sphere_shader ^ I->shaderCGO->has_draw_sphere_buffers){
CGOFree(I->shaderCGO);
I->shaderCGO = 0;
}
}
if (use_shader){
if (!I->shaderCGO){
if (use_sphere_shader){
I->shaderCGO = CGOOptimizeSpheresToVBONonIndexed(I->primitiveCGO, 0, true);
} else {
ok_assert(1, I->shaderCGO = CGOSimplify(I->primitiveCGO, 0, SettingGet_i(G, I->R.cs->Setting, I->R.obj->Setting, cSetting_nb_spheres_quality)));
ok_assert(1, CGOCombineBeginEnd(&I->shaderCGO));
ok_assert(1, CGOOptimizeToVBONotIndexed(&I->shaderCGO));
}
I->shaderCGO->use_shader = true;
}
CGORenderGL(I->shaderCGO, NULL, I->R.cs->Setting, I->R.obj->Setting, info, &I->R);
} else {
CGORenderGL(I->primitiveCGO, NULL, I->R.cs->Setting, I->R.obj->Setting, info, &I->R);
}
}
}
return;
ok_except1:
CGOFree(I->shaderCGO);
I->R.fInvalidate(&I->R, I->R.cs, cRepInvPurge);
I->R.cs->Active[cRepNonbondedSphere] = false;
}
Rep *RepNonbondedSphereNew(CoordSet * cs, int state)
{
PyMOLGlobals *G = cs->G;
ObjectMolecule *obj = cs->Obj;
unsigned char *active = NULL;
int nSphere = 0;
float transp =
1.f - SettingGet_f(G, cs->Setting, obj->Setting, cSetting_nonbonded_transparency);
int ok = true;
OOAlloc(G, RepNonbondedSphere);
CHECKOK(ok, I);
if (ok)
active = pymol::malloc<unsigned char>(cs->NIndex);
CHECKOK(ok, active);
if((obj->RepVisCache & cRepNonbondedSphereBit)){
for(int a = 0; a < cs->NIndex; a++) {
AtomInfoType *ai = obj->AtomInfo + cs->IdxToAtm[a];
active[a] = (!ai->bonded && (ai->visRep & cRepNonbondedSphereBit));
if (active[a])
nSphere++;
}
}
if(!nSphere) {
OOFreeP(I);
FreeP(active);
return (NULL);
}
float nb_spheres_size =
SettingGet_f(G, cs->Setting, obj->Setting, cSetting_nb_spheres_size);
RepInit(G, &I->R);
I->R.fRender = (void (*)(struct Rep *, RenderInfo *)) RepNonbondedSphereRender;
I->R.fFree = (void (*)(struct Rep *)) RepNonbondedSphereFree;
I->R.fRecolor = NULL;
I->R.obj = (CObject *) (cs->Obj);
I->R.cs = cs;
I->shaderCGO = NULL;
I->primitiveCGO = NULL;
/* Generate primitiveCGO */
float at_transp;
int NP = 0;
bool alpha_set = false;
I->primitiveCGO = CGONew(G);
CGOAlpha(I->primitiveCGO, transp);
for(int a = 0; ok && a < cs->NIndex; a++){
if(active[a]) {
int a1 = cs->IdxToAtm[a];
AtomInfoType *ai = obj->AtomInfo + a1;
NP++;
const float* v1 = cs->coordPtr(a);
int c1 = ai->color;
const float *vc;
if(ColorCheckRamped(G, c1)) {
float tmpColor[3];
ColorGetRamped(G, c1, v1, tmpColor, state);
vc = tmpColor;
} else {
vc = ColorGet(G, c1);
}
CGOPickColor(I->primitiveCGO, a1, (ai->masked ? cPickableNoPick : cPickableAtom));
if(AtomSettingGetIfDefined(G, ai, cSetting_nonbonded_transparency, &at_transp)){
CGOAlpha(I->primitiveCGO, 1.f - at_transp);
alpha_set = true;
} else if (alpha_set){
/* if atom level transparency is set, and this atom doesn't have transparency,
then set back to object-level transparency */
CGOAlpha(I->primitiveCGO, transp);
alpha_set = false;
}
CGOColorv(I->primitiveCGO, vc);
CGOSphere(I->primitiveCGO, v1, nb_spheres_size);
}
ok &= !G->Interrupt;
}
CGOStop(I->primitiveCGO);
I->primitiveCGO->sphere_quality = SettingGet_i(G, cs->Setting, obj->Setting, cSetting_nb_spheres_quality);
if (ok){
I->R.context.object = obj;
I->R.context.state = state;
}
FreeP(active);
if (!ok){
RepNonbondedSphereFree(I);
I = NULL;
}
return (Rep *) I;
}
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