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.
| Crystal.cpp (pymol-v1.8.6.0.tar.bz2) | : | Crystal.cpp (pymol-v2.1.0.tar.bz2) |
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| skipping to change at line 33 | | skipping to change at line 33 |
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| #include"Err.h" | | #include"Err.h" |
| #include"Base.h" | | #include"Base.h" |
| #include"OOMac.h" | | #include"OOMac.h" |
| #include"Crystal.h" | | #include"Crystal.h" |
| #include"Feedback.h" | | #include"Feedback.h" |
| #include"Util.h" | | #include"Util.h" |
| #include"PConv.h" | | #include"PConv.h" |
| | |
| PyObject *CrystalAsPyList(CCrystal * I) | | PyObject *CrystalAsPyList(CCrystal * I) |
| { | | { |
|
| #ifdef _PYMOL_NOPY | | |
| return NULL; | | |
| #else | | |
| PyObject *result = NULL; | | PyObject *result = NULL; |
| | |
| if(I) { | | if(I) { |
| result = PyList_New(2); | | result = PyList_New(2); |
| PyList_SetItem(result, 0, PConvFloatArrayToPyList(I->Dim, 3)); | | PyList_SetItem(result, 0, PConvFloatArrayToPyList(I->Dim, 3)); |
| PyList_SetItem(result, 1, PConvFloatArrayToPyList(I->Angle, 3)); | | PyList_SetItem(result, 1, PConvFloatArrayToPyList(I->Angle, 3)); |
| } | | } |
| return (PConvAutoNone(result)); | | return (PConvAutoNone(result)); |
|
| #endif | | |
| } | | } |
| | |
| int CrystalFromPyList(CCrystal * I, PyObject * list) | | int CrystalFromPyList(CCrystal * I, PyObject * list) |
| { | | { |
|
| #ifdef _PYMOL_NOPY | | |
| return 0; | | |
| #else | | |
| int ok = true, rok = true; | | int ok = true, rok = true; |
| int ll = 0; | | int ll = 0; |
| if(ok) | | if(ok) |
| ok = (I != NULL); | | ok = (I != NULL); |
| if(ok) | | if(ok) |
| ok = PyList_Check(list); | | ok = PyList_Check(list); |
| if(ok) | | if(ok) |
| ll = PyList_Size(list); | | ll = PyList_Size(list); |
| rok = ok; | | rok = ok; |
| if(ok && (ll > 0)) | | if(ok && (ll > 0)) |
| ok = PConvPyListToFloatArrayInPlace(PyList_GetItem(list, 0), I->Dim, 3); | | ok = PConvPyListToFloatArrayInPlace(PyList_GetItem(list, 0), I->Dim, 3); |
| if(ok && (ll > 1)) | | if(ok && (ll > 1)) |
| ok = PConvPyListToFloatArrayInPlace(PyList_GetItem(list, 1), I->Angle, 3); | | ok = PConvPyListToFloatArrayInPlace(PyList_GetItem(list, 1), I->Angle, 3); |
| if(ok) | | if(ok) |
| CrystalUpdate(I); | | CrystalUpdate(I); |
| | |
| /* TO SUPPORT BACKWARDS COMPATIBILITY... | | /* TO SUPPORT BACKWARDS COMPATIBILITY... |
| Always check ll when adding new PyList_GetItem's */ | | Always check ll when adding new PyList_GetItem's */ |
| | |
| return (rok); | | return (rok); |
|
| #endif | | |
| | | |
| } | | } |
| | |
| void CrystalFree(CCrystal * I) | | void CrystalFree(CCrystal * I) |
| { | | { |
| OOFreeP(I); | | OOFreeP(I); |
| } | | } |
| | |
| void CrystalInit(PyMOLGlobals * G, CCrystal * I) | | void CrystalInit(PyMOLGlobals * G, CCrystal * I) |
| { | | { |
| int a; | | int a; |
| | | |
| End of changes. 4 change blocks. |
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| 9 lines changed or deleted | | 0 lines changed or added |
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