Uses of Interface
ffx.xray.DataContainer
Package
Description
The Real Space package implements real space structure refinement.
The X-ray package implements support for X-ray and Neutron refinement.
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Uses of DataContainer in ffx.realspace
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Uses of DataContainer in ffx.xray
ModifierConstructorDescriptionRefinementEnergy
(DataContainer data, RefinementMinimize.RefinementMode refinementMode) RefinementEnergy Constructor.RefinementEnergy
(DataContainer data, RefinementMinimize.RefinementMode refinementMode, double[] optimizationScaling) RefinementEnergy Constructor.constructor for refinement, assumes coordinates and B factor optimizationRefinementMinimize
(DataContainer data, RefinementMinimize.RefinementMode refinementmode) constructor for refinementRefinementMinimize
(DataContainer data, RefinementMinimize.RefinementMode refinementMode, AlgorithmListener listener) constructor for refinement