Class CIFFilter

java.lang.Object
ffx.xray.parsers.CIFFilter
All Implemented Interfaces:
DiffractionFileFilter

public class CIFFilter extends Object implements DiffractionFileFilter
CIF file reader
Since:
1.0
Author:
Timothy D. Fenn
  • Constructor Details

    • CIFFilter

      public CIFFilter()
      Constructor.
  • Method Details

    • getReflectionList

      public ReflectionList getReflectionList(File cifFile)
      Get reflection information from a reflection file.
      Specified by:
      getReflectionList in interface DiffractionFileFilter
      Parameters:
      cifFile - File to read in.
      Returns:
      The ReflectionList, or null if not enough information present in the reflection file.
    • getReflectionList

      public ReflectionList getReflectionList(File cifFile, org.apache.commons.configuration2.CompositeConfiguration properties)
      Get reflection information from a reflection file.
      Specified by:
      getReflectionList in interface DiffractionFileFilter
      Parameters:
      cifFile - File to read in.
      properties - System properties.
      Returns:
      The ReflectionList, or null if not enough information present in the reflection file.
    • getResolution

      public double getResolution(File cifFile, Crystal crystal)
      Attempt to determine resolution of reflection file.
      Specified by:
      getResolution in interface DiffractionFileFilter
      Parameters:
      cifFile - File to read in.
      crystal - Crystal system to determine resolution information from.
      Returns:
      The resolution.
    • readFile

      public boolean readFile(File cifFile, ReflectionList reflectionList, DiffractionRefinementData refinementData, org.apache.commons.configuration2.CompositeConfiguration properties)
      Read in reflection file.
      Specified by:
      readFile in interface DiffractionFileFilter
      Parameters:
      cifFile - File to read in.
      reflectionList - The ReflectionList to find data indices.
      refinementData - The DiffractionRefinementData object to fill in.
      properties - System properties.
      Returns:
      True if read in properly.