source: src/Python@ 802a9d

Candidate_v1.7.1 stable
Name Size Rev Age Author Last Change
../
capture_c_contextmanager.py 2.5 KB 6b7765   5 years frederik.heber Added small lib to capture stdout and stderr in jupyter. - we need to …
exit.cpp 1.3 KB 9eb71b3   9 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
export_numpy.cpp 5.9 KB 802a9d   8 days frederik.heber Adds scripts to generate a bond table. - one python script for the …
getBoundingBox.cpp 2.1 KB 9eb71b3   9 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
getDomainVolume.cpp 1.5 KB 9eb71b3   9 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
getGraph6String.cpp 3.7 KB 5a479d   2 years frederik.heber Added python actions to generate all graph6 strings. - graph6 strings …
getSelectedAtomCount.cpp 1.3 KB e4b9d5   8 days frederik.heber Adds python command getSelectedAtomCount(). - this avoids needing to …
getSelectedAtomElements.cpp 1.6 KB e70818   5 years frederik.heber Added getSelectedAtomPositions() python function.
getSelectedAtomIds.cpp 1.6 KB e70818   5 years frederik.heber Added getSelectedAtomPositions() python function.
getSelectedAtomPositions.cpp 1.8 KB e70818   5 years frederik.heber Added getSelectedAtomPositions() python function.
getSelectedMolarMass.cpp 1.7 KB 9eb71b3   9 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
helper_c_capture.cpp 2.7 KB 6b7765   5 years frederik.heber Added small lib to capture stdout and stderr in jupyter. - we need to …
Makefile.am 3.3 KB e4b9d5   8 days frederik.heber Adds python command getSelectedAtomCount(). - this avoids needing to …
modules.hpp 1.1 KB e4b9d5   8 days frederik.heber Adds python command getSelectedAtomCount(). - this avoids needing to …
PythonScripting.cpp 4.7 KB a93896   4 months frederik.heber Ignores pyMoleCuilder import in python script. - TEST: LoadSession
PythonScripting.hpp 544 bytes a93896   4 months frederik.heber Ignores pyMoleCuilder import in python script. - TEST: LoadSession
PythonScripting_impl.hpp 9.5 KB e4b9d5   8 days frederik.heber Adds python command getSelectedAtomCount(). - this avoids needing to …
reinit.cpp 1.4 KB 9eb71b3   9 years frederik.heber Commented out MemDebug include and Memory::ignore. - MemDebug clashes …
wait.cpp 1.5 KB ecc050   5 years frederik.heber pyMoleCuilder's wait() has return value. - tells whether actions have …
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