Package ffx.xray.parsers

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 Summary

Constructors

Constructor	Description
CIFFilter()	Constructor.

Method Summary

Modifier and Type	Method	Description
ReflectionList	getReflectionList(File cifFile)	Get reflection information from a reflection file.
ReflectionList	getReflectionList(File cifFile, org.apache.commons.configuration2.CompositeConfiguration properties)	Get reflection information from a reflection file.
double	getResolution(File cifFile, Crystal crystal)	Attempt to determine resolution of reflection file.
boolean	readFile(File cifFile, ReflectionList reflectionList, DiffractionRefinementData refinementData, org.apache.commons.configuration2.CompositeConfiguration properties)	Read in reflection file.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

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.