Update libobjcryst #16
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…jcryst * 'master' of github.com:vincefn/objcryst: Add access to the weight (g/mol) for ScatteringPowerAtom and Crystal
* upstream-objcryst: Add access to the weight (g/mol) for ScatteringPowerAtom and Crystal
…jcryst * 'master' of github.com:vincefn/objcryst: Add access to the weight (g/mol) for ScatteringPowerAtom and Crystal
* upstream-objcryst: Add access to the weight (g/mol) for ScatteringPowerAtom and Crystal
…jcryst * 'master' of github.com:vincefn/objcryst: Correct precision for Crystal::GetFormula()
* upstream-objcryst: Correct precision for Crystal::GetFormula()
…SpaceGroupExplorer::Run() and RunAll()
…jcryst * 'master' of github.com:vincefn/objcryst: Add relative_length_tolerance and absolute_angle_tolerance_degree to SpaceGroupExplorer::Run() and RunAll()
* upstream-objcryst: Add relative_length_tolerance and absolute_angle_tolerance_degree to SpaceGroupExplorer::Run() and RunAll()
…n mDeleteSubObjInDestructor is False. This is useful when re-loading Crystal configurations using their xml descriptions repeatedly, notably in python.
* objcryst/master: Crystal::XMLInput(): add a hook to re-use atomic scattering power when mDeleteSubObjInDestructor is False. This is useful when re-loading Crystal configurations using their xml descriptions repeatedly, notably in python.
* upstream-objcryst: Crystal::XMLInput(): add a hook to re-use atomic scattering power when mDeleteSubObjInDestructor is False. This is useful when re-loading Crystal configurations using their xml descriptions repeatedly, notably in python.
* objcryst/master: Better GetFormula for Crystal and Molecule
* upstream-objcryst: Better GetFormula for Crystal and Molecule
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This PR:
Associated pyobjcryst PR to come.