"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer3/Editor.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.

Editor.cpp  (pymol-v2.1.0.tar.bz2)	:	Editor.cpp  (pymol-open-source-2.2.0)
skipping to change at line 65		skipping to change at line 65
float V0[3], V1[3], Axis[3], Center[3], DragBase[3];		float V0[3], V1[3], Axis[3], Center[3], DragBase[3];
float *PosVLA;		float *PosVLA;
int ShowFrags;		int ShowFrags;
int DihedralInvalid;		int DihedralInvalid;
int MouseInvalid;		int MouseInvalid;
int FavorOrigin;		int FavorOrigin;
float FavoredOrigin[3];		float FavoredOrigin[3];
CGO *shaderCGO;		CGO *shaderCGO;
};		};
void EditorInvalidateShaderCGO(PyMOLGlobals * G);
int EditorGetScheme(PyMOLGlobals * G)		int EditorGetScheme(PyMOLGlobals * G)
{		{
CEditor *I = G->Editor;		CEditor *I = G->Editor;
int scheme = EDITOR_SCHEME_OBJ;		int scheme = EDITOR_SCHEME_OBJ;
if(EditorActive(G))		if(EditorActive(G))
scheme = EDITOR_SCHEME_FRAG;		scheme = EDITOR_SCHEME_FRAG;
else if(I->DragObject) {		else if(I->DragObject) {
if(I->DragIndex >= 0) {		if(I->DragIndex >= 0) {
scheme = EDITOR_SCHEME_OBJ;		scheme = EDITOR_SCHEME_OBJ;
skipping to change at line 114		skipping to change at line 112
obj1 = SelectorGetFastSingleAtomObjectIndex(G, sele1, &at1);		obj1 = SelectorGetFastSingleAtomObjectIndex(G, sele1, &at1);
obj2 = SelectorGetFastSingleAtomObjectIndex(G, sele2, &at2);		obj2 = SelectorGetFastSingleAtomObjectIndex(G, sele2, &at2);
if(obj1 && (obj1 == obj2)) {		if(obj1 && (obj1 == obj2)) {
CEditor *I = G->Editor;		CEditor *I = G->Editor;
I->DihedObject = obj1;		I->DihedObject = obj1;
at0 = ObjectMoleculeGetTopNeighbor(G, obj1, at1, at2);		at0 = ObjectMoleculeGetTopNeighbor(G, obj1, at1, at2);
at3 = ObjectMoleculeGetTopNeighbor(G, obj1, at2, at1);		at3 = ObjectMoleculeGetTopNeighbor(G, obj1, at2, at1);
if((at0 >= 0) && (at3 >= 0)) {		if((at0 >= 0) && (at3 >= 0)) {
int sele0, sele3;
float result;		float result;
/* find the highest priority atom attached to index1 */		/* find the highest priority atom attached to index1 */
SelectorCreateOrderedFromObjectIndices(G, cEditorDihe1, obj1, &at0, 1) ;		SelectorCreateOrderedFromObjectIndices(G, cEditorDihe1, obj1, &at0, 1) ;
SelectorCreateOrderedFromObjectIndices(G, cEditorDihe2, obj2, &at3, 1) ;		SelectorCreateOrderedFromObjectIndices(G, cEditorDihe2, obj2, &at3, 1) ;
sele0 = SelectorIndexByName(G, cEditorDihe1);
sele3 = SelectorIndexByName(G, cEditorDihe2);
ExecutiveDihedral(G, &result, cEditorDihedral, cEditorDihe1,		ExecutiveDihedral(G, &result, cEditorDihedral, cEditorDihe1,
cEditorSele1, cEditorSele2, cEditorDihe2,		cEditorSele1, cEditorSele2, cEditorDihe2,
0, true, true, false, true, -1);		0, true, true, false, true, -1);
ExecutiveColor(G, cEditorDihedral, "white", 1, true);		ExecutiveColor(G, cEditorDihedral, "white", 1, true);
ExecutiveSetSettingFromString(G, cSetting_float_labels,		ExecutiveSetSettingFromString(G, cSetting_float_labels,
"1", cEditorDihedral, 0, true, true);		"1", cEditorDihedral, 0, true, true);
#ifndef _PYMOL_FREETYPE		#ifndef _PYMOL_FREETYPE
ExecutiveSetSettingFromString(G, cSetting_label_font_id,		ExecutiveSetSettingFromString(G, cSetting_label_font_id,
"4", cEditorDihedral, 0, true, true);		"4", cEditorDihedral, 0, true, true);
skipping to change at line 1009		skipping to change at line 1004
}		}
}		}
#undef cEditorRemoveSele		#undef cEditorRemoveSele
}		}
/*========================================================================*/		/*========================================================================*/
void EditorHFill(PyMOLGlobals * G, int quiet)		void EditorHFill(PyMOLGlobals * G, int quiet)
{		{
int sele0, sele1;		int sele0, sele1;
int i0;		int i0;
OrthoLineType buffer, s1;		OrthoLineType buffer, s1, s2;
ObjectMolecule *obj0 = NULL, *obj1 = NULL;		ObjectMolecule *obj0 = NULL, *obj1 = NULL;
if(EditorActive(G)) {		if(EditorActive(G)) {
sele0 = SelectorIndexByName(G, cEditorSele1);		sele0 = SelectorIndexByName(G, cEditorSele1);
obj0 = SelectorGetFastSingleObjectMolecule(G, sele0);		obj0 = SelectorGetFastSingleObjectMolecule(G, sele0);
ObjectMoleculeVerifyChemistry(obj0, -1); /* remember chemistry for later */		ObjectMoleculeVerifyChemistry(obj0, -1); /* remember chemistry for later */
if(sele0 >= 0) {		if(sele0 >= 0) {
sele1 = SelectorIndexByName(G, cEditorSele2);		sele1 = SelectorIndexByName(G, cEditorSele2);
if(sele0 >= 0) {		if(sele0 >= 0) {
if(sele1 >= 0)		if(sele1 >= 0){
sprintf(buffer, "((neighbor (%s)) and hydro and not (%s))",		sprintf(s2, "(%s) or (%s)",
cEditorSele1, cEditorSele2);		cEditorSele1, cEditorSele2);
else		sprintf(buffer, "((neighbor (%s)) and hydro and not (%s))",
		s2, s2);
		} else {
		sprintf(s2, "(%s)", cEditorSele1);
sprintf(buffer, "((neighbor %s) & hydro)", cEditorSele1);		sprintf(buffer, "((neighbor %s) & hydro)", cEditorSele1);
		}
SelectorGetTmp(G, buffer, s1);		SelectorGetTmp(G, buffer, s1);
ExecutiveRemoveAtoms(G, s1, quiet);		ExecutiveRemoveAtoms(G, s1, quiet);
SelectorFreeTmp(G, s1);		SelectorFreeTmp(G, s1);
i0 = ObjectMoleculeGetAtomIndex(obj0, sele0);		i0 = ObjectMoleculeGetAtomIndex(obj0, sele0);
obj0->AtomInfo[i0].chemFlag = false;		obj0->AtomInfo[i0].chemFlag = false;
ExecutiveAddHydrogens(G, cEditorSele1, quiet);		ExecutiveAddHydrogens(G, cEditorSele1, quiet);
if(sele1 >= 0) {		if(sele1 >= 0) {
obj1 = SelectorGetFastSingleObjectMolecule(G, sele1);		obj1 = SelectorGetFastSingleObjectMolecule(G, sele1);
i0 = ObjectMoleculeGetAtomIndex(obj1, sele1);		i0 = ObjectMoleculeGetAtomIndex(obj1, sele1);
skipping to change at line 1281		skipping to change at line 1280
if(nEdge < 3)		if(nEdge < 3)
nEdge = 3;		nEdge = 3;
subdivide(nEdge, x, y);		subdivide(nEdge, x, y);
n0[0] = 1.0;		n0[0] = 1.0;
n0[1] = 0.0;		n0[1] = 0.0;
n0[2] = 0.0;		n0[2] = 0.0;
get_system1f3f(n0, n1, n2);		get_system1f3f(n0, n1, n2);
		#ifndef PURE_OPENGL_ES_2
glColor3fv(ColorGet(G, 0));		glColor3fv(ColorGet(G, 0));
		#endif
		if (shaderCGO)
		CGOColorv(shaderCGO, ColorGet(G, 0));
cycle_counter = number;		cycle_counter = number;
while(cycle_counter) {		while(cycle_counter) {
switch (number) {		switch (number) {
case 1:		case 1:
width = width_base;		width = width_base;
offset = 0.0F;		offset = 0.0F;
break;		break;
case 2:		case 2:
skipping to change at line 1630		skipping to change at line 1632
}		}
}		}
if (shaderCGO){		if (shaderCGO){
CGO *convertcgo = NULL;		CGO *convertcgo = NULL;
int ok = true;		int ok = true;
CGOStop(shaderCGO);		CGOStop(shaderCGO);
CHECKOK(ok, shaderCGO);		CHECKOK(ok, shaderCGO);
convertcgo = CGOCombineBeginEnd(shaderCGO, 0);		convertcgo = CGOCombineBeginEnd(shaderCGO, 0);
CHECKOK(ok, convertcgo);		CHECKOK(ok, convertcgo);
CGOFree(shaderCGO);		CGOFree(shaderCGO);
if (ok)
I->shaderCGO = CGOOptimizeToVBONotIndexed(convertcgo, 0);
CHECKOK(ok, I->shaderCGO);
CGOFree(convertcgo);
if (ok){		if (ok){
		CGO *tmpCGO = CGONew(G), *convertcgo2 = NULL;
		if (ok) ok &= CGOEnable(tmpCGO, GL_DEFAULT_SHADER);
		if (ok) ok &= CGODisable(tmpCGO, GL_TWO_SIDED_LIGHTING);
		convertcgo2 = CGOOptimizeToVBONotIndexedNoShader(convertcgo, 0);
		if (ok) ok &= CGOAppendNoStop(tmpCGO, convertcgo2);
		if (ok) ok &= CGODisable(tmpCGO, GL_DEFAULT_SHADER);
		if (ok) ok &= CGOStop(tmpCGO);
		CGOFreeWithoutVBOs(convertcgo2);
		I->shaderCGO = tmpCGO;
I->shaderCGO->use_shader = true;		I->shaderCGO->use_shader = true;
I->shaderCGO->enable_shaders = true;		}
		CGOFree(convertcgo);
		if (ok){
CGORenderGL(I->shaderCGO, NULL, NULL, NULL, NULL, NULL);		CGORenderGL(I->shaderCGO, NULL, NULL, NULL, NULL, NULL);
}		}
}		}
}		}
}		}
/*========================================================================*/		/*========================================================================*/
void EditorInactivate(PyMOLGlobals * G)		void EditorInactivate(PyMOLGlobals * G)
{		{
CEditor *I = G->Editor;		CEditor *I = G->Editor;
End of changes. 12 change blocks.
15 lines changed or deleted		24 lines changed or added

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