Uses of Class
ffx.crystal.ReflectionList
Packages that use ReflectionList
Package
Description
The Crystal package implements space group symmetry and periodic boundary condition support.
The X-ray package implements support for X-ray and Neutron refinement.
The Parsers package reads CNS files and reads/writes MTZ files.
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Uses of ReflectionList in ffx.crystal
Constructors in ffx.crystal with parameters of type ReflectionListModifierConstructorDescriptionReflectionSpline
(ReflectionList reflectionList, int nParams) Constructor for ReflectionSpline. -
Uses of ReflectionList in ffx.xray
Methods in ffx.xray that return ReflectionListModifier and TypeMethodDescriptionDiffractionData.getReflectionList()
Getter for the fieldreflectionList
.Constructors in ffx.xray with parameters of type ReflectionListModifierConstructorDescriptionCrystalReciprocalSpace
(ReflectionList reflectionList, Atom[] atoms, ParallelTeam fftTeam, ParallelTeam parallelTeam) Crystal Reciprocal Space constructor, assumes this is not a bulk solvent mask and is not a neutron data setCrystalReciprocalSpace
(ReflectionList reflectionList, Atom[] atoms, ParallelTeam fftTeam, ParallelTeam parallelTeam, boolean solventMask) Crystal Reciprocal Space constructor, assumes this is not a neutron data set and implements a polynomial bulk solvent mask if neededCrystalReciprocalSpace
(ReflectionList reflectionList, Atom[] atoms, ParallelTeam fftTeam, ParallelTeam parallelTeam, boolean solventMask, boolean neutron) Crystal Reciprocal Space constructor, assumes a polynomial bulk solvent mask if neededCrystalReciprocalSpace
(ReflectionList reflectionlist, Atom[] atoms, ParallelTeam fftTeam, ParallelTeam parallelTeam, boolean solventMask, boolean neutron, CrystalReciprocalSpace.SolventModel solventModel, CrystalReciprocalSpace.GridMethod gridMethod) Crystal Reciprocal Space constructor, all parameters providedDiffractionRefinementData
(org.apache.commons.configuration2.CompositeConfiguration properties, ReflectionList reflectionList) allocate data given aReflectionList
ScaleBulkMinimize
(ReflectionList reflectionList, DiffractionRefinementData refinementData, CrystalReciprocalSpace crystalReciprocalSpace, ParallelTeam parallelTeam) Constructor for ScaleBulkMinimize.SplineMinimize
(ReflectionList reflectionList, DiffractionRefinementData refinementData, double[] x, int type) Constructor for SplineMinimize. -
Uses of ReflectionList in ffx.xray.parsers
Methods in ffx.xray.parsers that return ReflectionListModifier and TypeMethodDescriptionCIFFilter.getReflectionList
(File cifFile) Get reflection information from a reflection file.CIFFilter.getReflectionList
(File cifFile, org.apache.commons.configuration2.CompositeConfiguration properties) Get reflection information from a reflection file.CNSFilter.getReflectionList
(File cnsFile) Get reflection information from a reflection file.CNSFilter.getReflectionList
(File cnsFile, org.apache.commons.configuration2.CompositeConfiguration properties) Get reflection information from a reflection file.DiffractionFileFilter.getReflectionList
(File file) Get reflection information from a reflection file.DiffractionFileFilter.getReflectionList
(File file, org.apache.commons.configuration2.CompositeConfiguration properties) Get reflection information from a reflection file.MTZFilter.getReflectionList
(File mtzFile) Get reflection information from a reflection file.MTZFilter.getReflectionList
(File mtzFile, org.apache.commons.configuration2.CompositeConfiguration properties) Get reflection information from a reflection file.Methods in ffx.xray.parsers with parameters of type ReflectionListModifier and TypeMethodDescriptionvoid
MTZFilter.averageFcs
(File mtzFile1, File mtzFile2, ReflectionList reflectionlist, int iter, org.apache.commons.configuration2.CompositeConfiguration properties) Average the computed structure factors for two systems.boolean
CIFFilter.readFile
(File cifFile, ReflectionList reflectionList, DiffractionRefinementData refinementData, org.apache.commons.configuration2.CompositeConfiguration properties) Read in reflection file.boolean
CNSFilter.readFile
(File cnsFile, ReflectionList reflectionList, DiffractionRefinementData refinementData, org.apache.commons.configuration2.CompositeConfiguration properties) Read in reflection file.boolean
DiffractionFileFilter.readFile
(File file, ReflectionList reflectionList, DiffractionRefinementData refinementData, org.apache.commons.configuration2.CompositeConfiguration properties) Read in reflection file.boolean
MTZFilter.readFile
(File mtzFile, ReflectionList reflectionList, DiffractionRefinementData refinementData, org.apache.commons.configuration2.CompositeConfiguration properties) Read in reflection file.Constructors in ffx.xray.parsers with parameters of type ReflectionListModifierConstructorDescriptionMTZWriter
(ReflectionList reflectionList, DiffractionRefinementData refinementData, String filename) Constructor for MTZWriter.MTZWriter
(ReflectionList reflectionList, DiffractionRefinementData refinementData, String filename, int mtzType) Constructor for MTZWriter.