"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer5/PyMOL.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.

PyMOL.cpp  (pymol-open-source-2.2.0)	:	PyMOL.cpp  (pymol-open-source-2.3.0)
skipping to change at line 30		skipping to change at line 30
#include <clocale>		#include <clocale>
#include "MemoryDebug.h"		#include "MemoryDebug.h"
#include "Base.h"		#include "Base.h"
#include "OVContext.h"		#include "OVContext.h"
#include "MemoryDebug.h"		#include "MemoryDebug.h"
#include "MemoryCache.h"
#include "Err.h"		#include "Err.h"
#include "Util.h"		#include "Util.h"
#include "Selector.h"		#include "Selector.h"
#include "Color.h"		#include "Color.h"
#include "Ortho.h"		#include "Ortho.h"
#include "Scene.h"		#include "Scene.h"
#include "PyMOLObject.h"		#include "PyMOLObject.h"
#include "Executive.h"		#include "Executive.h"
#include "Word.h"		#include "Word.h"
#include "RepMesh.h"		#include "RepMesh.h"
skipping to change at line 1526		skipping to change at line 1525
}		}
SelectorFreeTmp(I->G, s1);		SelectorFreeTmp(I->G, s1);
PYMOL_API_UNLOCK return result;		PYMOL_API_UNLOCK return result;
}		}
/*		/*
* Supported file formats and they internal codes		* Supported file formats and they internal codes
*/		*/
struct {		struct {
const char * name;		const char * name;
int code_buffer;		cLoadType_t code_buffer;
int code_filename;		cLoadType_t code_filename;
} const ContentTypeTable[] = {		} const ContentTypeTable[] = {
// molecules		// molecules
{"pdb", cLoadTypePDBStr, cLoadTypePDB},		{"pdb", cLoadTypePDBStr, cLoadTypePDB},
{"vdb", cLoadTypeVDBStr, -1},		{"vdb", cLoadTypeVDBStr, cLoadTypeUnknown},
{"cif", cLoadTypeCIFStr, cLoadTypeCIF},		{"cif", cLoadTypeCIFStr, cLoadTypeCIF},
{"mmtf", cLoadTypeMMTFStr, cLoadTypeMMTF},		{"mmtf", cLoadTypeMMTFStr, cLoadTypeMMTF},
{"mae", cLoadTypeMAEStr, cLoadTypeMAE},		{"mae", cLoadTypeMAEStr, cLoadTypeMAE},
{"sdf", cLoadTypeSDF2Str, cLoadTypeSDF2},		{"sdf", cLoadTypeSDF2Str, cLoadTypeSDF2},
{"mol", cLoadTypeMOLStr, cLoadTypeMOL},		{"mol", cLoadTypeMOLStr, cLoadTypeMOL},
{"mol2", cLoadTypeMOL2Str, cLoadTypeMOL2},		{"mol2", cLoadTypeMOL2Str, cLoadTypeMOL2},
{"xyz", cLoadTypeXYZStr, cLoadTypeXYZ},		{"xyz", cLoadTypeXYZStr, cLoadTypeXYZ},
{"pqr", -1, cLoadTypePQR},		{"pqr", cLoadTypeUnknown, cLoadTypePQR},
{"macromodel", cLoadTypeMMDStr, cLoadTypeMMD},		{"macromodel", cLoadTypeMMDStr, cLoadTypeMMD},
// maps		// maps
{"ccp4", cLoadTypeCCP4Str, -1},		{"ccp4", cLoadTypeCCP4Str, cLoadTypeUnknown},
{"xplor", cLoadTypeXPLORStr, cLoadTypeXPLORMap},		{"xplor", cLoadTypeXPLORStr, cLoadTypeXPLORMap},
{"phi", cLoadTypePHIStr, cLoadTypePHIMap},		{"phi", cLoadTypePHIStr, cLoadTypePHIMap},
{"dx", -1, cLoadTypeDXMap},		{"dx", cLoadTypeUnknown, cLoadTypeDXMap},
// special		// special
{"cgo", cLoadTypeCGO, -1},		{"cgo", cLoadTypeCGO, cLoadTypeUnknown},
{NULL, -1, -1}		{NULL, cLoadTypeUnknown, cLoadTypeUnknown}
};		};
/*		/*
* Proxy for "ExecutiveLoad" with string "content_format" (and "content_type")		* Proxy for "ExecutiveLoad" with string "content_format" (and "content_type")
* argument.		* argument.
*		*
* content: Either file name or file contents, depending on "content_type"		* content: Either file name or file contents, depending on "content_type"
* content_type: "filename", "string", "raw", or "cgo"		* content_type: "filename", "string", "raw", or "cgo"
* content_length: Length of "content", if it's not a file name or a		* content_length: Length of "content", if it's not a file name or a
* null-terminated string (pass -1).		* null-terminated string (pass -1).
skipping to change at line 1621		skipping to change at line 1620
q = obj_name;		q = obj_name;
while(p < stop) {		while(p < stop) {
*(q++) = *(p++);		*(q++) = *(p++);
}		}
*q = 0;		*q = 0;
object_name = obj_name;		object_name = obj_name;
}		}
}		}
}		}
{		{
int pymol_content_type = cLoadTypeUnknown;		cLoadType_t pymol_content_type = cLoadTypeUnknown;
for (auto it = ContentTypeTable; it->name; ++it) {		for (auto it = ContentTypeTable; it->name; ++it) {
if (strcmp(it->name, content_format) == 0) {		if (strcmp(it->name, content_format) == 0) {
pymol_content_type = content_is_filename ?		pymol_content_type = content_is_filename ?
it->code_filename : it->code_buffer;		it->code_filename : it->code_buffer;
break;		break;
}		}
}		}
if (pymol_content_type == cLoadTypeUnknown) {		if (pymol_content_type == cLoadTypeUnknown) {
skipping to change at line 2041		skipping to change at line 2040
G->Lexicon = OVLexicon_New(G->Context->heap);		G->Lexicon = OVLexicon_New(G->Context->heap);
if(OVreturn_IS_ERROR(PyMOL_InitAPI(I))) {		if(OVreturn_IS_ERROR(PyMOL_InitAPI(I))) {
printf("ERROR: PyMOL internal C API initialization failed.\n");		printf("ERROR: PyMOL internal C API initialization failed.\n");
}		}
// global lexicon "constants"		// global lexicon "constants"
#define LEX_CONSTANTS_IMPL		#define LEX_CONSTANTS_IMPL
#include "lex_constants.h"		#include "lex_constants.h"
MemoryCacheInit(G);
FeedbackInit(G, G->Option->quiet);		FeedbackInit(G, G->Option->quiet);
WordInit(G);		WordInit(G);
UtilInit(G);		UtilInit(G);
ColorInit(G);		ColorInit(G);
CGORendererInit(G);		CGORendererInit(G);
ShaderMgrInit(G);		ShaderMgrInit(G);
SettingInitGlobal(G, true, true, false);		SettingInitGlobal(G, true, true, false);
SettingSetGlobal_i(G, cSetting_internal_gui, G->Option->internal_gui);		SettingSetGlobal_i(G, cSetting_internal_gui, G->Option->internal_gui);
SettingSetGlobal_i(G, cSetting_internal_feedback, G->Option->internal_feedback );		SettingSetGlobal_i(G, cSetting_internal_feedback, G->Option->internal_feedback );
TextureInit(G);		TextureInit(G);
skipping to change at line 2145		skipping to change at line 2143
#endif		#endif
void PyMOL_Stop(CPyMOL * I)		void PyMOL_Stop(CPyMOL * I)
{		{
PyMOLGlobals *G = I->G;		PyMOLGlobals *G = I->G;
G->Terminating = true;		G->Terminating = true;
TetsurfFree(G);		TetsurfFree(G);
IsosurfFree(G);		IsosurfFree(G);
WizardFree(G);		WizardFree(G);
SceneCleanupStereo(G);
EditorFree(G);		EditorFree(G);
ExecutiveFree(G);		ExecutiveFree(G);
VFontFree(G);		VFontFree(G);
SculptCacheFree(G);		SculptCacheFree(G);
AtomInfoFree(G);		AtomInfoFree(G);
ButModeFree(G);		ButModeFree(G);
ControlFree(G);		ControlFree(G);
SeekerFree(G);		SeekerFree(G);
SeqFree(G);		SeqFree(G);
SelectorFree(G);		SelectorFree(G);
skipping to change at line 2174		skipping to change at line 2171
TypeFree(G);		TypeFree(G);
TextureFree(G);		TextureFree(G);
SphereFree(G);		SphereFree(G);
PlugIOManagerFree(G);		PlugIOManagerFree(G);
PFree(G);		PFree(G);
CGORendererFree(G);		CGORendererFree(G);
ColorFree(G);		ColorFree(G);
UtilFree(G);		UtilFree(G);
WordFree(G);		WordFree(G);
FeedbackFree(G);		FeedbackFree(G);
MemoryCacheDone(G);
PyMOL_PurgeAPI(I);		PyMOL_PurgeAPI(I);
/* printf("%d \n", OVLexicon_GetNActive(G->Lexicon)); */		/* printf("%d \n", OVLexicon_GetNActive(G->Lexicon)); */
OVLexicon_Del(G->Lexicon);		OVLexicon_Del(G->Lexicon);
OVContext_Del(G->Context);		OVContext_Del(G->Context);
}		}
void PyMOL_Free(CPyMOL * I)		void PyMOL_Free(CPyMOL * I)
{		{
#if !defined(_PYMOL_ACTIVEX) && !defined(_MACPYMOL_XCODE)		#if !defined(_PYMOL_ACTIVEX) && !defined(_MACPYMOL_XCODE)
skipping to change at line 2466		skipping to change at line 2462
I->RedisplayFlag = false;		I->RedisplayFlag = false;
OrthoBusyPrime(G);		OrthoBusyPrime(G);
ExecutiveDrawNow(G);		ExecutiveDrawNow(G);
if(I->ImageRequestedFlag) {		if(I->ImageRequestedFlag) {
if(SceneHasImage(G)) {		if(SceneHasImage(G)) {
I->ImageReadyFlag = true;		I->ImageReadyFlag = true;
I->ImageRequestedFlag = false;		I->ImageRequestedFlag = false;
{
int w, h;
SceneGetImageSize(I->G, &w, &h);
}
} else {		} else {
I->ImageReadyFlag = false;		I->ImageReadyFlag = false;
}		}
} else if(I->ImageReadyFlag) {		} else if(I->ImageReadyFlag) {
if(!SceneHasImage(G))		if(!SceneHasImage(G))
I->ImageReadyFlag = false;		I->ImageReadyFlag = false;
}		}
if(G->HaveGUI)		if(G->HaveGUI)
PyMOL_PopValidContext(I);		PyMOL_PopValidContext(I);
skipping to change at line 2657		skipping to change at line 2648
I->SwapFlag = true;		I->SwapFlag = true;
}		}
void PyMOL_NeedReshape(CPyMOL * I, int mode, int x, int y, int width, int height )		void PyMOL_NeedReshape(CPyMOL * I, int mode, int x, int y, int width, int height )
{		{
PyMOLGlobals *G = I->G;		PyMOLGlobals *G = I->G;
if(width < 0) {		if(width < 0) {
if (!G->HaveGUI)		if (!G->HaveGUI)
return;		return;
int h;		width = SceneGetBlock(G)->getWidth();
BlockGetSize(SceneGetBlock(G), &width, &h);
if(SettingGetGlobal_b(G, cSetting_internal_gui))		if(SettingGetGlobal_b(G, cSetting_internal_gui))
width += DIP2PIXEL(SettingGetGlobal_i( G, cSetting_internal_gui_width));		width += DIP2PIXEL(SettingGetGlobal_i( G, cSetting_internal_gui_width));
}		}
/* if height is negative, force a reshape based on the current height */		/* if height is negative, force a reshape based on the current height */
if(height < 0) {		if(height < 0) {
int w;
int internal_feedback;		int internal_feedback;
BlockGetSize(SceneGetBlock(G), &w, &height);		height = SceneGetBlock(G)->getHeight();
internal_feedback = SettingGetGlobal_i(G, cSetting_internal_feedback);		internal_feedback = SettingGetGlobal_i(G, cSetting_internal_feedback);
if(internal_feedback)		if(internal_feedback)
height += (internal_feedback - 1) * cOrthoLineHeight + cOrthoBottomSceneMa rgin;		height += (internal_feedback - 1) * cOrthoLineHeight + cOrthoBottomSceneMa rgin;
if(SettingGetGlobal_b(G, cSetting_seq_view)		if(SettingGetGlobal_b(G, cSetting_seq_view)
&& !SettingGetGlobal_b(G, cSetting_seq_view_overlay)) {		&& !SettingGetGlobal_b(G, cSetting_seq_view_overlay)) {
height += SeqGetHeight(G);		height += SeqGetHeight(G);
}		}
height += MovieGetPanelHeight(G);		height += MovieGetPanelHeight(G);
}		}
skipping to change at line 2869		skipping to change at line 2858
return result;		return result;
}		}
PyMOLreturn_int_array PyMOL_GetImageInfo(CPyMOL * I)		PyMOLreturn_int_array PyMOL_GetImageInfo(CPyMOL * I)
{		{
PyMOLreturn_int_array result = { PyMOLstatus_SUCCESS, 2, NULL };		PyMOLreturn_int_array result = { PyMOLstatus_SUCCESS, 2, NULL };
PYMOL_API_LOCK result.array = VLAlloc(int, 2);		PYMOL_API_LOCK result.array = VLAlloc(int, 2);
if(!result.array) {		if(!result.array) {
result.status = PyMOLstatus_FAILURE;		result.status = PyMOLstatus_FAILURE;
} else {		} else {
SceneGetImageSize(I->G, result.array, result.array + 1);		std::tie(result.array[0], result.array[1]) = SceneGetImageSize(I->G);
}		}
PYMOL_API_UNLOCK return result;		PYMOL_API_UNLOCK return result;
}		}
int PyMOL_GetImageData(CPyMOL * I,		int PyMOL_GetImageData(CPyMOL * I,
int width, int height,		int width, int height,
int row_bytes, void *buffer, int mode, int reset)		int row_bytes, void *buffer, int mode, int reset)
{		{
int ok = true;		int ok = true;
PYMOL_API_LOCK if(reset)		PYMOL_API_LOCK if(reset)
End of changes. 16 change blocks.
23 lines changed or deleted		12 lines changed or added

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