4.3.2 - Diffraction Data Module Class - JdlDiffractionDataModule

John W. Campbell

4.3.2.1 Introduction

Class, constructors and methods:

4.3.2.2 Class Details

Package:

Jdl.JdlPX;

Class name:

JdlDiffractionDataModule

Class definition:

public class JdlDiffractionDataModule

Extends:

Object

Implements:

JdlStringWriter

Actions:

none

4.3.2.3 Accessible Fields

4.3.2.4 Constructor

4.3.2.4.1 Introduction

Constructor:

4.3.2.4.2 Standard Constructor

Constructor Definition:

public JdlDiffractionDataModule (int max_sets, int max_images, int max_ranges)

Parameters List:

max_sets

Maximum number of crystal sets allowed.

max_images

Maximum number of images allowed for each crystal set.

max_ranges

The maximum number of Rotation/Laue start/end of range parameters (ROTSTART, ROTEND)

4.3.2.5 Read DDM Data

4.3.2.5.1 Introduction

Methods:

4.3.2.5.2 Read DDM file - readDDMFile

Method Definition:

public boolean readDDMFile (String filnam, JdlError jerr)

Parameters List:

filnam

The file or URL name of the DDM keyworded data set.

jerr

If an error was found 'jerr.err' is set to true, an error message is returned in 'jerr.msg1' and 'jerr.flag' is set as follows:
= -4, Access control exception
= -3, Malformed URL Exception
= -2, File not found
= -1, File reading error
= 1, Error reading DDM file
= 100, Non-DDM data found (In this case 'jerr.err' is false)

Method Return:

Returns true if OK (note that jerr.flag may be set to 100), or false if an error was found (see jerr above for details).

4.3.2.5.3 Read DDM file - readDDMFile

Method Definition:

public boolean readDDMFile (BufferedReader bsr, JdlError jerr)

Parameters List:

bsr

The BufferedReader object for the DDM data file.

jerr

If an error was found 'jerr.err' is set to true, an error message is returned in 'jerr.msg1' and 'jerr.flag' is set as follows:
= 1, Error reading DDM file
= 100, Non-DDM data found (In this case 'jerr.err' is false)

Method Return:

Returns true if OK, or false if an error was found (see jerr above for details).

4.3.2.6 Set DDM Parameter Values

4.3.2.6.1 Introduction

Methods:

4.3.2.6.2 Set a value - setValue

Method Definition:

public boolean setValue(String name, int iset, int imgnum, int irange, String valstr, JdlError err)

Parameters List:

name

The full parameter (keyword) name.

iset

Set number, 0=all sets - ignored for single value type parameters.

imgnum

The image number within the given rotation range (0=all images in all ranges). If irange is 0 then imgnum is the overall image position. If the parameter is not an image based parameter, then a value of 0 or 1 should be given.

irange

The rotation range number.

valstr

The parameter value (or values) as a string - ignored if iopt=1.

err

Error return object. If an error was found err.err will be returned as true. An error message will be returned and err.flag will be set as follows:
= -100, No keyword parameters defined
= -1, Invalid set number
= -2, Invalid subset number
= -3, Invalid parameter name
= -4, Parameter may not be suffixed
= -5, Parameter suffix out of range
= 1, Syntax error
= 2, Out of range value (or invalid String)

Method Return:

Returns true if OK, otherwise false (details in JdlError object).

4.3.2.6.3 Set string parameter - setStringValue

Method Definition:

public boolean setStringValue (String name, String valstr, JdlError err)

Parameters List:

name

The parameter name. (May be: TITLE, TYPE, SYSTEM, LATTICE)

valstr

The parameter value string.

err

Error return object. If an error was found err.err will be returned as true. An error message will be returned and err.flag will be set as follows:
= -1, Invalid set number
= -2, Invalid subset number
= -3, Invalid parameter name
= -4, Parameter may not be suffixed
= -5, Parameter suffix out of range
= 1, Syntax error
= 2, Out of range value (or invalid String)

Method Return:

Returns true if OK, otherwise false (details in JdlError object).

4.3.2.6.4 Set integer parameter - setIntegerValue

Method Definition:

public boolean setIntegerValue (String name, int ival, JdlError err)

Parameters List:

name

The parameter name. (May be: NUMSETS)

ival

The parameter value.

err

Error return object. If an error was found err.err will be returned as true. An error message will be returned and err.flag will be set as follows:
= -1, Invalid set number
= -2, Invalid subset number
= -3, Invalid parameter name
= -4, Parameter may not be suffixed
= -5, Parameter suffix out of range
= 1, Syntax error
= 2, Out of range value (or invalid String)

Method Return:

Returns true if OK, otherwise false (details in JdlError object).

4.3.2.6.5 Set integer parameter - setIntegerValue

Method Definition:

public boolean setIntegerValue (String name, int iset, int ival, JdlError err)

Parameters List:

name

The parameter name. (May be: CRYSTAL_NUMBER, IAX_H, IAX_V, IMAGE_RECL, IMAGE_HEADER, NULL_PIXEL, OVLD_PIXEL, NXRASTS, NYRASTS, NWMAX)

iset

The set number, 0 = all sets.

ival

The parameter value.

err

Error return object. If an error was found err.err will be returned as true. An error message will be returned and err.flag will be set as follows:
= -1, Invalid set number
= -2, Invalid subset number
= -3, Invalid parameter name
= -4, Parameter may not be suffixed
= -5, Parameter suffix out of range
= 1, Syntax error
= 2, Out of range value (or invalid String)

Method Return:

Returns true if OK, otherwise false (details in JdlError object).

4.3.2.6.6 Set double parameter - setDoubleValue

Method Definition:

public boolean setDoubleValue (String name, int iset, String valstr, JdlError err)

Parameters List:

name

The parameter name. (May be: RMAX, TAU_X, TAU_Y, TAU_Z, DET_GAIN, WAVELENGTH, DISPERSION, DIVV, DIVH, DELCOR, POLARISATION, PIX_X, PIX_Y, TWOTH_MIN, RMIN, R_XCEN, R_YCEN, X_MIN, X_MAX, Y_MIN, Y_MAX, A, B, C, ALPHA, BETA, GAMMA, PHI_ORIENT, ROTSTART, ROTEND, ANGLE_INC/ANGLE_OSC, SPOT_SIZE)

iset

The set number, 0 = all sets.

valstr

The parameter value as a string.

err

Error return object. If an error was found err.err will be returned as true. An error message will be returned and err.flag will be set as follows:
= -1, Invalid set number
= -2, Invalid subset number
= -3, Invalid parameter name
= -4, Parameter may not be suffixed
= -5, Parameter suffix out of range
= 1, Syntax error
= 2, Out of range value (or invalid String)

Method Return:

Returns true if OK, otherwise false (details in JdlError object).

4.3.2.6.7 Set double parameter - setDoubleValue

Method Definition:

public boolean setDoubleValue (String name, int iset, double val, boolean upd_nd, JdlError err)

Parameters List:

name

The parameter name. (May be: RMAX, TAU_X, TAU_Y, TAU_Z, DET_GAIN, WAVELENGTH, DISPERSION, DIVV, DIVH, DELCOR, POLARISATION, PIX_X, PIX_Y, TWOTH_MIN, RMIN, R_XCEN, R_YCEN, X_MIN, X_MAX, Y_MIN, Y_MAX, A, B, C, ALPHA, BETA, GAMMA, PHI_ORIENT, ROTSTART, ROTEND, ANGLE_INC/ANGLE_OSC, SPOT_SIZE)

iset

The set number, 0 = all sets.

val

The parameter value.

upd_nd

If true, update the number of decimal places flag to the default value for the parameter; if false, leave at current value.

err

Error return object. If an error was found err.err will be returned as true. An error message will be returned and err.flag will be set as follows:
= -1, Invalid set number
= -2, Invalid subset number
= -3, Invalid parameter name
= -4, Parameter may not be suffixed
= -5, Parameter suffix out of range
= 1, Syntax error
= 2, Out of range value (or invalid String)

Method Return:

Returns true if OK, otherwise false (details in JdlError object).

4.3.2.6.8 Set double parameter - setDoubleValue

Method Definition:

public boolean setDoubleValue (String name, int iset, int imgnum, int irange, String valstr, JdlError err)

Parameters List:

name

The parameter name. (May be: DISTANCE, RESOLUTION, MOSAICITY, PHI_X, PHI_Y, PHI_Z, LAMBDA_MIN, LAMBDA_MAX, SPOT_SIZE, X_CEN, Y_CEN, X_C, Y_C, W_C, TWIST, TILT, ROFF, TOFF, Y_SCALE)

iset

The set number (>= 1) - May give 0 for all sets if imgnum is also 0.

imgnum

The image number within the given rotation range (0=all images in all ranges).

irange

The rotation range number.

valstr

The parameter value as a string.

err

Error return object. If an error was found err.err will be returned as true. An error message will be returned and err.flag will be set as follows:
= -1, Invalid set number
= -2, Invalid subset number
= -3, Invalid parameter name
= -4, Parameter may not be suffixed
= -5, Parameter suffix out of range
= 1, Syntax error
= 2, Out of range value (or invalid String)

Method Return:

Returns true if OK, otherwise false (details in JdlError object).

4.3.2.6.9 Set double parameter - setDoubleValue

Method Definition:

public boolean setDoubleValue (String name, int iset, int imgnum, int irange, double val, boolean upd_nd, JdlError err)

Parameters List:

name

The parameter name. (May be: DISTANCE, RESOLUTION, MOSAICITY, PHI_X, PHI_Y, PHI_Z, LAMBDA_MIN, LAMBDA_MAX, SPOT_SIZE, X_CEN, Y_CEN, X_C, Y_C, W_C, TWIST, TILT, ROFF, TOFF, Y_SCALE)

iset

The set number (>= 1) - May give 0 for all sets if imgnum is also 0.

imgnum

The image number within the given rotation range (0=all images in all ranges).

irange

The rotation range number.

val

The parameter value.

upd_nd

If true, update the number of decimal places flag to the default value for the parameter; if false, leave at current value.

err

Error return object. If an error was found err.err will be returned as true. An error message will be returned and err.flag will be set as follows:
= -1, Invalid set number
= -2, Invalid subset number
= -3, Invalid parameter name
= -4, Parameter may not be suffixed
= -5, Parameter suffix out of range
= 1, Syntax error
= 2, Out of range value (or invalid String)

Method Return:

Returns true if OK, otherwise false (details in JdlError object).

4.3.2.6.10 Set cell - setCell

Method Definition:

public boolean setCell(JdlCell cell, int iset, boolean upd_nd, JdlError err)

Parameters List:

cell

The JdlCell cell object.

iset

The set number (>= 1) - May give 0 for all sets if imgnum is also 0.

upd_nd

If true, update the number of decimal places flags to the default values for the parameters; if false, leave at current value.

err

Error return object. If an error was found err.err will be returned as true. An error message will be returned and err.flag will be set as follows:
= -1, Invalid set number
= 1, Syntax error
= 2, Out of range value (or invalid String)

Method Return:

Returns true if OK, otherwise false (details in JdlError object).

4.3.2.6.11 Set symmetry - setSymmetry

Method Definition:

public void setSymmetry (String valstr, JdlError err)

Parameters List:

valstr

Space group number or name as a String (as in the CCP4 'symop.lib' file or a symmetry operator or 'end'. The string "undef" may also be given to set the symmetry to 'undefined'. If an error occurs, the symmetry will remain unchanged.

err

Error return object. If an error was found 'err.err' will be returned as true, error messages will be set in 'err.msg1' (and 'err.msg2') and the flag 'err.flag' will be set as follows:
= 0, OK
= 1, Specified space group not found or data incomplete in stored symmetry data (JdlSymops)
= 2, Error in symmetry operator
= -1, No symmetry data given

4.3.2.6.12 Reset defaults - resetDefaults

Method Definition:

public boolean resetDefaults (String name, int iset, int isubset, boolean reset_var)

Parameters List:

name

Parameter name (null/blank string means all parameters).

iset

Set number, 0=all sets - ignored for single value type parameters.

isubset

Subset number, 0=all subsets - ignored for single value or set type parameters.

reset_var

If true set current number of values back to 1 for integer or double parameters which may have a variable number of values (suffixed parameters).

Method Return:

true OK, false error: parameter not found or invalid set/subset number.

4.3.2.6.13 Clear rotation range - clearRotationRange

Method Definition:

public void clearRotationRange(int iset, int irange)

Parameters List:

iset

Set number (0 = all sets);

ir

The rotation range number for which the ROTSTARTn and ROTENDn parameters are to be cleared (2 or more). If 0 is given then these parameters will be unset/cleared for all rotation ranges except the first. (The values are set to -1000.0 which can only be set by restoring default values)

4.3.2.7 Get DDM Parameter Values

4.3.2.7.1 Introduction

Methods:

4.3.2.7.2 Get value string - getValueString

Method Definition:

public String getValueString(String name, int iset, int imgnum, int irange, JdlError err)

Parameters List:

name

The full parameter name.

iset

The set number (>= 1) if a set or set/image based parameter.

imgnum

The image number within the given rotation range (or overall position if irange = 0) for a set and image based parameter.

irange

The rotation range number for a set and image based parameter.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= -1, Parameter not found
= -2, Parameter may not be suffixed = -3, Parameter suffix out of current range = 1, Invalid set/subset number

Method Return:

The parameter value as a string.

4.3.2.7.3 Get string parameter - getStringParameter

Method Definition:

public String getStringParameter (String name, JdlError err)

Parameters List:

name

The parameter name. (May be: TITLE, TYPE, SYSTEM, LATTICE)

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= -1, Parameter not found
= 1, Invalid set/subset number

Method Return:

The parameter value string.

4.3.2.7.4 Get string parameter - getStringParameter

Method Definition:

public String getStringParameter (String name, int iset, JdlError err)

Parameters List:

name

The parameter name. (May be: DET_TYPE, AX1_NAME, AX2_NAME, IX1_NAME, IX2_NAME, SYNCHROTRON, GONIO_ORIENT, IMAGE_TYPE, IMAGE_FORMAT, IMAGE_DATA, AXORD, DISTOR_TYPE, IMAGE_DIR, IMAGE_TEMPLATE)

iset

The set number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= -1, Parameter not found
= 1, Invalid set/subset number

Method Return:

The parameter value string.

4.3.2.7.5 Get integer parameter - getIntegerParameter

Method Definition:

public int getIntegerParameter(String name, JdlError err)

Parameters List:

name

The parameter name. (May be: NUMSETS)

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= -1, Parameter not found
= 1, Invalid set/subset number

Method Return:

The parameter value.

4.3.2.7.6 Get integer parameter - getIntegerParameter

Method Definition:

public int getIntegerParameter(String name, int iset, JdlError err)

Parameters List:

name

The parameter name. (May be: CRYSTAL_NUMBER, IAX_H, IAX_V, IMAGE_RECL, IMAGE_HEADER, NULL_PIXEL, OVLD_PIXEL, NXRASTS, NYRASTS, NWMAX)

iset

The set number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= -1, Parameter not found
= 1, Invalid set/subset number

Method Return:

The parameter value.

4.3.2.7.7 Get double parameter - getDoubleParameter

Method Definition:

public double getDoubleParameter(String name, int iset, JdlError err)

Parameters List:

name

The parameter name. (May be: RMAX, TAU_X, TAU_Y, TAU_Z, DET_GAIN, WAVELENGTH, DISPERSION, DIVV, DIVH, DELCOR, POLARISATION, PIX_X, PIX_Y, TWOTH_MIN, RMIN, R_XCEN, R_YCEN, X_MIN, X_MAX, Y_MIN, Y_MAX, A, B, C, ALPHA, BETA, GAMMA, PHI_ORIENT, ANGLE_OSC)

iset

The set number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= -1, Parameter not found
= 1, Invalid set/subset number

Method Return:

The parameter value

4.3.2.7.8 Get suffixed double parameter - getSuffixedDoubleParameter

Method Definition:

public double getSuffixedDoubleParameter(String name, int iset, int irange, JdlError err)

Parameters List:

name

The parameter name. (May be: ROTSTART, ROTEND, SPOT_SIZE)

iset

The set number.

irange

The range number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= -1, Parameter not found
= 1, Invalid set/subset number

Method Return:

The parameter value

4.3.2.7.9 Get double parameter - getDoubleParameter

Method Definition:

public double getDoubleParameter(String name, int iset, int imgnum, int irange, JdlError err)

Parameters List:

name

The parameter name. (May be: DISTANCE, RESOLUTION, MOSAICITY, PHI_X, PHI_Y, PHI_Z, LAMBDA_MIN, LAMBDA_MAX, SPOT_SIZE, X_CEN, Y_CEN, X_C, Y_C, W_C, TWIST, TILT, ROFF, TOFF, Y_SCALE)

iset

The set number (>= 1).

imgnum

The image number within the given rotation range (or overall position if irange = 0).

irange

The rotation range number

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= -1, Parameter not found
= 1, Invalid set/subset number

Method Return:

The parameter value.

4.3.2.7.10 Get pattern centre - getPatternCentre

Method Definition:

public JdlXY getPatternCentre(int iset, int imgnum, int irange, JdlError err)

Parameters List:

iset

The set number (>= 1).

imgnum

The image number within the given rotation range (or overall position if irange = 0).

irange

The rotation range number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

Method Return:

The centre position (null if error).

4.3.2.7.11 Get pixel dimensions in mm. - getPixelDimensions

Method Definition:

public JdlXY getPixelDimensions(int iset, int imgnum, int irange, JdlError err)

Parameters List:

iset

The set number (>= 1).

imgnum

The image number within the given rotation range (or overall position if irange = 0).

irange

The rotation range number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

Method Return:

The pixel dimensions in x and y in mm.

4.3.2.7.12 Get detector rotations - getDetectorRotations

Method Definition:

public void getDetectorRotations (int iset, double[] det1, double[] det2, double[] det3, JdlError err)

Parameters List:

iset

The set number.

det1

3 element array in which first detctor rotation vector is to be returned.

det2

3 element array in which first detctor rotation vector is to be returned.

det3

3 element array in which first detctor rotation vector is to be returned.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

4.3.2.7.13 Get detector axes - getDetectorAxes

Method Definition:

public void getDetectorAxes (int iset, double[] detax1, double[] detax2, JdlError err)

Parameters List:

iset

The set number.

detax1

3 element array in which first detctor axis vector is to be returned.

detax2

3 element array in which first detctor axis vector is to be returned.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

4.3.2.7.14 Get scan axis - getScanAxis

Method Definition:

public void getScanAxis (int iset, double[] scax, JdlError err)

Parameters List:

iset

The set number.

scax

3 element array in which the scan axis vector is to be returned.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

4.3.2.7.15 Get U-matrix - getUMatrix

Method Definition:

public void getUMatrix (int iset, double[][] umat, JdlError err)

Parameters List:

iset

The set number.

umat

3x3 element array in which the U-Matrix is to be returned.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

4.3.2.7.16 Get crystal system - getSystem

Method Definition:

public int getSystem()

Parameters List:

none

Method Return:

The crystal system number (1-7) for Triclinic, Monoclinic, Orthorhombic, Tetragonal, Hexagonal, Rhombohedral or Cubic resepctively.

4.3.2.7.17 Get lattice type - getLattice

Method Definition:

public int getLattice()

Parameters List:

none

Method Return:

The lattice type as an integer (1-7) for P, A, B, C, I, F or R respectively.

4.3.2.7.18 Get detector basics - getDetectorBasics

Method Definition:

public JdlDetectorBasics getDetectorBasics(int iset, JdlError err)

Parameters List:

iset

The set number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

Method Return:

The JdlDetectorBasics object - null if error.

4.3.2.7.19 Get positioned detector - getPositionedDetector

Method Definition:

public JdlPositionedDetector getPositionedDetector(int iset, int img, JdlError err)

Parameters List:

iset

The set number.

img

The image position number (over all defined ranges). [Can use the getImagePosition(..) method to find this number from the rotation range number and the image number within that range]

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

Method Return:

The JdlPositionedDetector object - null if error.

4.3.2.7.20 Get X-ray source - getXraySource

Method Definition:

public JdlXraySource getXraySource (int iset, int img, JdlError err)

Parameters List:

iset

The set number.

img

The image position number (over all defined ranges). [Can use the getImagePosition(..) method to find this number from the rotation range number and the image number within that range]

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

Method Return:

The JdlXraySource object - null if error.

4.3.2.7.21 Get cell - getCell

Method Definition:

public JdlCell getCell(int iset, JdlError err)

Parameters List:

iset

The set number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

Method Return:

The JdlCell object - null if error.

4.3.2.7.22 Get positioned crystal - getPositionedCrystal

Method Definition:

public JdlPositionedCrystal getPositionedCrystal(int iset, int img, JdlError err)

Parameters List:

iset

The set number.

img

The image position number (over all defined ranges). [Can use the getImagePosition(..) method to find this number from the rotation range number and the image number within that range]

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

Method Return:

The JdlPositionedCrystal object - null if error.

4.3.2.7.23 Get orientation matrix - getOrientationMatrix

Method Definition:

public Jdl3x3 getOrientationMatrix(int iset, int img, JdlError err)

Parameters List:

iset

The set number.

img

The image position number (over all defined ranges). [Can use the getImagePosition(..) method to find this number from the rotation range number and the image number within that range]

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

Method Return:

The orientation matrix (null if error)

4.3.2.7.24 Get detector limits - getDetectorLimits

Method Definition:

public JdlDetectorLimits getDetectorLimits (int iset, int img, JdlError err)

Parameters List:

iset

The set number.

img

The image position number (over all defined ranges). [Can use the getImagePosition(..) method to find this number from the rotation range number and the image number within that range]

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number

Method Return:

A JdlDetectorLimits object.

4.3.2.7.25 Get symmetry - getSymmetry

Method Definition:

public JdlSymmetry getSymmetry()

Parameters List:

none

Method Return:

A reference to the stored symmetry data.

4.3.2.7.26 Get KDM reference - getKDM

Method Definition:

public JdlKeywordDataModule getKDM()

Parameters List:

none

Method Return:

A reference to the internal KDM object.

4.3.2.8 Rotation Range Methods

4.3.2.8.1 Introduction

List of Methods:

4.3.2.8.2 Get number of rotation ranges - numberOfRotationRanges

Method Definition:

public int numberOfRotationRanges(int iset)

Parameters List:

iset

The set number.

Method Return:

The number of rotation ranges (0 if an invalid set number was given).

4.3.2.8.3 Get image position - getImagePosition

Method Definition:

public int getImagePosition(int iset, int imgnum, int irange)

Parameters List:

iset

The set number.

imgnum

The image number within the rotation range (if irange==0 then this is the overall image number which will be returned unchanged if it is withing the current range of images).

irange

The range number.

Method Return:

The image position number (KDM subset number):
> 0, Image number
= 0, Image number not currently defined for requested range
= -1, Invalid set number
= -2, Invalid range number

4.3.2.8.4 Get rotation start angle - getRotationStart

Method Definition:

public double getRotationStart(int iset, int imgnum, int irange, JdlError err)

Parameters List:

iset

The set number.

imgnum

The image number within the rotation range.

irange

The range number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number
= 2, Undefined rotation range
= 3, Undefined image for range

Method Return:

The rotation start angle; 0.0 if error.

4.3.2.8.5 Get rotation start angle - getRotationMidpoint

Method Definition:

public double getRotationMidpoint(int iset, int imgnum, int irange, JdlError err)

Parameters List:

iset

The set number.

imgnum

The image number within the rotation range.

irange

The range number.

err

JdlError object to return error codes etc. If an error was detected, then err.err will be set to true, an error message will be returned and err.flag will be set as follows:
= 1, Invalid set/subset number
= 2, Undefined rotation range
= 3, Undefined image for range

Method Return:

The rotation start angle; 0.0 if error.

4.3.2.8.6 Get range number - getRangeNumber

Method Definition:

public int getRangeNumber(int iset, int imgnum, JdlInt imgr)

Parameters List:

iset

The required set number

imgnum

The overall image position number.

imgr

Returns the image position within the range

Method Return:

The range number (0 if not within a current range; -1 if set not present)

4.3.2.8.7 Get number of images - numImages

Method Definition:

public int numImages(int iset, int irange)

Parameters List:

iset

The required set number (>= 1).

irange

The rotation range number (0 for all ranges together).

Method Return:

The number of images:
>= 0, The required number of images
= -1, Invalid set number
= -2, Invalid range number

4.3.2.8.8 Set image identifier - setImageID

Method Definition:

public static int setImageID(int irange, int imgnum)

Parameters List:

irange

The rotation range number.

imgnum

The image number within the range (>0).

Method Return:

The packed image identifier.

4.3.2.8.9 Get range from image ID - getRangeFromImageID

Method Definition:

public static int getRangeFromImageID(int img_id)

Parameters List:

img_id

The packed image identifier

Method Return:

The rotation range number.

4.3.2.8.10 Get number from image ID - getNumberFromImageID

Method Definition:

public static int getNumberFromImageID(int img_id)

Parameters List:

img_id

The packed image identifier.

Method Return:

The image number.

4.3.2.8.11 Update NUMIMG - updateNUMIMG

Method Definition:

public void updateNUMIMG()

Parameters List:

none

4.3.2.9 Write DDM file

4.3.2.9.1 Introduction

List of Methods:

4.3.2.9.2 Write DDM file - writeDDMFile

Method Definition:

public boolean writeDDMFile(String filnam, int outtyp, int ichanged, JdlError jerr)

Parameters List:

filnam

Output file name.

outtyp

Type of output:
= 1, Minimum, do not o/p parameters with default values
= 2, Standard output, do not o/p parameters with default values except for those which have been flagged to be printed as standard
= 3, Full (all parameters will be included) but with reduced output where feasible by recombining values if all the same for a set etc.
= 4, All pamaeters and individual values given explicitly for all set/image parameters </br>

ichanged

Output changed parameters flag:
= 0, Output all parameters </br> = 1-16, Write changed parameter values since last reset of flag for channel 'ichanged'

jerr

If an error was found 'jerr.err' is set to true, an error message is returned in 'jerr.msg1' and 'jerr.flag' is set as follows:
= -4, Access control exception
= -3, Malformed URL Exception
= -2, File opening error
= -1, File writing error
= 1, Invalid method parameters

Method Return:

True if OK, false if error.

4.3.2.9.3 Write DDM file - writeDDMFile

Method Definition:

public boolean writeDDMFile(BufferedWriter bwr, int outtyp, int ichanged, JdlError err)

Parameters List:

bwr

Buffered writer for the file output.

outtyp

Type of output:
= 1, Minimum, do not o/p parameters with default values
= 2, Standard output, do not o/p parameters with default values except for those which have been flagged to be printed as standard
= 3, Full (all parameters will be included) but with reduced output where feasible by recombining values if all the same for a set etc.
= 4, All pamaeters and individual values given explicitly for all set/image parameters </br>

ichanged

Output changed parameters flag:
= 0, Output all parameters </br> = 1-16, Write changed parameter values since last reset of flag for channel 'ichanged'

jerr

If an error was found 'jerr.err' is set to true, an error message is returned in 'jerr.msg1' and 'jerr.flag' is set as follows:
= -1, File writing error
= 1, Invalid method parameters

Method Return:

True if OK, false if error.

4.3.2.10 JdlView Parameter Table

4.3.2.10.1 Introduction

List of Methods:

4.3.2.10.2 Get JdlParameterTable - getParameterTable

Method Definition:

public JdlParameterTable getParameterTable()

Parameters List:

none

Method Return:

The JdlParameterTable object.

4.3.2.10.3 Get JdlParameterTable - getParameterTable

Method Definition:

public JdlParameterTable getParameterTable(JdlViewOptions view_opts)

Parameters List:

view_opts

Object to set non-default options for borders, active strip, colours and fonts.

Method Return:

The JdlParameterTable object.

4.3.2.10.4 Set parameter values - setParameterTableValues

Method Definition:

public void setParameterTableValues (int itabl, int iset, int imgpos)

Parameters List:

itabl

The table number to be displayed (1-3).

iset

The current set number to de displayed (will be reset to 1 if outside current valid range).

imgpos

The current image number to display (over all ranges) ((will be reset to 1 if outside current valid range).

4.3.2.10.5 Process parameter input - processParameterInput

Method Definition:

public String processParameterInput()

Parameters List:

none

Method Return:

The parameter name String. (If the set or image number were changed the returned strings will be "SET n" or "IMG n" where 'n' is the new set/image number).

4.3.2.10.6 Get current set - getParameterTableSet

Method Definition:

public int getParameterTableSet()

Parameters List:

none

Method Return:

The set number.

4.3.2.10.7 Get current image - getParameterTableImage

Method Definition:

public int getParameterTableImage()

Parameters List:

none

Method Return:

The image number.

4.3.2.10.8 Share parameter table - shareParameterTable

Method Definition:

public void shareParameterTable (JdlDiffractionDataModule ddm)

Parameters List:

ddm

The JdlDiffractionDataModule object which was used to create the parameter table.