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NXcontainer (h5jan API)
org.eclipse.dawnsci.nexus
Interface NXcontainer
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- All Known Implementing Classes:
- NXcontainerImpl
public interface NXcontainer
extends NXobject
State of a container holding the sample under investigation.
A container is any object in the beam path which absorbs the beam and
whose contribution to the overall attenuation/scattering needs to be
determined to process the experimental data. Examples of containers
include glass capillary tubes, vanadium cans, windows in furnaces or
diamonds in a Diamond Anvil Cell. The following figures show a complex
example of a container:
.. figure:: container/ComplexExampleContainer.png
A hypothetical capillary furnace. The beam passes from left to right
(blue dashes), passing through window 1, then window 2, before
passing through the downstream wall of the capillary. It is then
scattered by the sample with scattered beams passing through the
upstream wall of the capillary, then windows 4 and 5. As part of the
corrections for a PDF experiment it is necessary to subtract the PDF
of the empty container (i.e. each of the windows and the capillary).
To calculate the PDF of the empty container it is necessary to have
the measured scattering data and to know the nature (e.g. density,
elemental composition, etc.) of the portion of the container which
the beam passed through.
.. figure:: container/ComplexContainerBeampath.png
A complete description of the shapes of the container elements with
their orientation relative to the beam and also information on
whether they are upstream or downstream of the sample is also
therefore important. For example, although the windows 2 and 4 have
the same shape, the path taken through them by the beam is very
different and this needs to be modelled. Furthermore, it is not
inconceivable that windows might move during an experiment and thus
the changes to the beampath would need to be accounted for.
This class encodes the position of the container with respect to the
sample and allows the calculation of the beampath through the container.
It also includes sufficient data to model beam absorption of the
container and a link to a dataset containing a measurement of the
container with nothing inside, to allow data corrections (at a specific
beam energy/measurement time) to be made.
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Field Summary
Fields
Modifier and Type
Field and Description
static java.lang.String
NX_CHEMICAL_FORMULA
static java.lang.String
NX_DENSITY
static java.lang.String
NX_DESCRIPTION
static java.lang.String
NX_NAME
static java.lang.String
NX_PACKING_FRACTION
static java.lang.String
NX_RELATIVE_MOLECULAR_MASS
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Method Summary
All Methods Instance Methods Abstract Methods
Modifier and Type
Method and Description
NXbeam
getBeam()
Details of beam incident on container, including the position
relative to the sample (to determine whether the container is
upstream or downstream of the sample).
IDataset
getChemical_formula()
Chemical composition of the material the container is made from.
java.lang.String
getChemical_formulaScalar()
Chemical composition of the material the container is made from.
IDataset
getDensity()
Density of the material the container is made from.
java.lang.Double
getDensityScalar()
Density of the material the container is made from.
IDataset
getDescription()
Verbose description of container and how it fits into the wider
experimental set up.
java.lang.String
getDescriptionScalar()
Verbose description of container and how it fits into the wider
experimental set up.
IDataset
getName()
Descriptive name of container.
java.lang.String
getNameScalar()
Descriptive name of container.
NXtransformations
getOrientation()
The angle the container makes to the beam and how it may change
during the experiment.In combination with shape this should allow
the beampath through the container to be modelled to allow the
adsorption of the container to be calculated.
IDataset
getPacking_fraction()
Fraction of the volume of the container occupied by the material
forming the container.
java.lang.Double
getPacking_fractionScalar()
Fraction of the volume of the container occupied by the material
forming the container.
IDataset
getRelative_molecular_mass()
Relative molecular mass of container.
java.lang.Double
getRelative_molecular_massScalar()
Relative molecular mass of container.
NXshape
getShape()
Shape of the container.
void
setBeam(NXbeam beam)
Details of beam incident on container, including the position
relative to the sample (to determine whether the container is
upstream or downstream of the sample).
DataNode
setChemical_formula(IDataset chemical_formula)
Chemical composition of the material the container is made from.
DataNode
setChemical_formulaScalar(java.lang.String chemical_formula)
Chemical composition of the material the container is made from.
DataNode
setDensity(IDataset density)
Density of the material the container is made from.
DataNode
setDensityScalar(java.lang.Double density)
Density of the material the container is made from.
DataNode
setDescription(IDataset description)
Verbose description of container and how it fits into the wider
experimental set up.
DataNode
setDescriptionScalar(java.lang.String description)
Verbose description of container and how it fits into the wider
experimental set up.
DataNode
setName(IDataset name)
Descriptive name of container.
DataNode
setNameScalar(java.lang.String name)
Descriptive name of container.
void
setOrientation(NXtransformations orientation)
The angle the container makes to the beam and how it may change
during the experiment.In combination with shape this should allow
the beampath through the container to be modelled to allow the
adsorption of the container to be calculated.
DataNode
setPacking_fraction(IDataset packing_fraction)
Fraction of the volume of the container occupied by the material
forming the container.
DataNode
setPacking_fractionScalar(java.lang.Double packing_fraction)
Fraction of the volume of the container occupied by the material
forming the container.
DataNode
setRelative_molecular_mass(IDataset relative_molecular_mass)
Relative molecular mass of container.
DataNode
setRelative_molecular_massScalar(java.lang.Double relative_molecular_mass)
Relative molecular mass of container.
void
setShape(NXshape shape)
Shape of the container.
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Methods inherited from interface org.eclipse.dawnsci.nexus.NXobject
addExternalLink, canAddChild, createDataNode, getAllDatasets, getAttr, getAttrBoolean, getAttrDate, getAttrDouble, getAttrLong, getAttrNumber, getAttrString, getBoolean, getChild, getChildren, getChildren, getDataset, getDate, getDouble, getLazyWritableDataset, getLong, getNexusBaseClass, getNumber, getNXclass, getPermittedChildGroupClasses, getString, initializeFixedSizeLazyDataset, initializeLazyDataset, initializeLazyDataset, putChild, setAttribute, setChildren, setDataset, setField
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Methods inherited from interface org.eclipse.dawnsci.analysis.api.tree.GroupNode
addDataNode, addGroupNode, addNode, addNodeLink, addSymbolicNode, containsDataNode, containsGroupNode, containsNode, containsSymbolicNode, findLinkedNodeName, findNodeLink, getDataNode, getDataNodeMap, getDataNodes, getDatasets, getGlobalPool, getGroupNode, getGroupNodeMap, getGroupNodes, getNames, getNode, getNodeLink, getNodeNameIterator, getNumberOfDataNodes, getNumberOfGroupNodes, getNumberOfNodelinks, getSymbolicNode, isPopulated, iterator, removeDataNode, removeDataNode, removeGroupNode, removeGroupNode, removeSymbolicNode, removeSymbolicNode, setGlobalPool
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Methods inherited from interface org.eclipse.dawnsci.analysis.api.tree.Node
addAttribute, containsAttribute, getAttribute, getAttributeIterator, getAttributeNameIterator, getID, getNumberOfAttributes, isDataNode, isGroupNode, isSymbolicNode
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Field Detail
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NX_NAME
static final java.lang.String NX_NAME
- See Also:
- Constant Field Values
-
NX_DESCRIPTION
static final java.lang.String NX_DESCRIPTION
- See Also:
- Constant Field Values
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NX_CHEMICAL_FORMULA
static final java.lang.String NX_CHEMICAL_FORMULA
- See Also:
- Constant Field Values
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NX_DENSITY
static final java.lang.String NX_DENSITY
- See Also:
- Constant Field Values
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NX_PACKING_FRACTION
static final java.lang.String NX_PACKING_FRACTION
- See Also:
- Constant Field Values
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NX_RELATIVE_MOLECULAR_MASS
static final java.lang.String NX_RELATIVE_MOLECULAR_MASS
- See Also:
- Constant Field Values
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Method Detail
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getName
IDataset getName()
Descriptive name of container.
- Returns:
- the value.
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setName
DataNode setName(IDataset name)
Descriptive name of container.
- Parameters:
name
- the name
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getNameScalar
java.lang.String getNameScalar()
Descriptive name of container.
- Returns:
- the value.
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setNameScalar
DataNode setNameScalar(java.lang.String name)
Descriptive name of container.
- Parameters:
name
- the name
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getDescription
IDataset getDescription()
Verbose description of container and how it fits into the wider
experimental set up.
- Returns:
- the value.
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setDescription
DataNode setDescription(IDataset description)
Verbose description of container and how it fits into the wider
experimental set up.
- Parameters:
description
- the description
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getDescriptionScalar
java.lang.String getDescriptionScalar()
Verbose description of container and how it fits into the wider
experimental set up.
- Returns:
- the value.
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setDescriptionScalar
DataNode setDescriptionScalar(java.lang.String description)
Verbose description of container and how it fits into the wider
experimental set up.
- Parameters:
description
- the description
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getChemical_formula
IDataset getChemical_formula()
Chemical composition of the material the container is made from.
Specified using CIF conventions. Abbreviated version of CIF
standard:
* Only recognized element symbols may be used.
* Each element symbol is followed by a 'count' number. A count of
'1' may be omitted.
* A space or parenthesis must separate each cluster of (element
symbol + count).
* Where a group of elements is enclosed in parentheses, the
multiplier for the group must follow the closing parentheses.
That is, all element and group multipliers are assumed to be
printed as subscripted numbers.
* Unless the elements are ordered in a manner that corresponds to
their chemical structure, the order of the elements within any
group or moiety depends on whether or not carbon is present.
* If carbon is present, the order should be:
- C, then H, then the other elements in alphabetical order of
their symbol.
- If carbon is not present, the elements are listed purely in
alphabetic order of their symbol.
* This is the *Hill* system used by Chemical Abstracts.
- Returns:
- the value.
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setChemical_formula
DataNode setChemical_formula(IDataset chemical_formula)
Chemical composition of the material the container is made from.
Specified using CIF conventions. Abbreviated version of CIF
standard:
* Only recognized element symbols may be used.
* Each element symbol is followed by a 'count' number. A count of
'1' may be omitted.
* A space or parenthesis must separate each cluster of (element
symbol + count).
* Where a group of elements is enclosed in parentheses, the
multiplier for the group must follow the closing parentheses.
That is, all element and group multipliers are assumed to be
printed as subscripted numbers.
* Unless the elements are ordered in a manner that corresponds to
their chemical structure, the order of the elements within any
group or moiety depends on whether or not carbon is present.
* If carbon is present, the order should be:
- C, then H, then the other elements in alphabetical order of
their symbol.
- If carbon is not present, the elements are listed purely in
alphabetic order of their symbol.
* This is the *Hill* system used by Chemical Abstracts.
- Parameters:
chemical_formula
- the chemical_formula
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getChemical_formulaScalar
java.lang.String getChemical_formulaScalar()
Chemical composition of the material the container is made from.
Specified using CIF conventions. Abbreviated version of CIF
standard:
* Only recognized element symbols may be used.
* Each element symbol is followed by a 'count' number. A count of
'1' may be omitted.
* A space or parenthesis must separate each cluster of (element
symbol + count).
* Where a group of elements is enclosed in parentheses, the
multiplier for the group must follow the closing parentheses.
That is, all element and group multipliers are assumed to be
printed as subscripted numbers.
* Unless the elements are ordered in a manner that corresponds to
their chemical structure, the order of the elements within any
group or moiety depends on whether or not carbon is present.
* If carbon is present, the order should be:
- C, then H, then the other elements in alphabetical order of
their symbol.
- If carbon is not present, the elements are listed purely in
alphabetic order of their symbol.
* This is the *Hill* system used by Chemical Abstracts.
- Returns:
- the value.
-
setChemical_formulaScalar
DataNode setChemical_formulaScalar(java.lang.String chemical_formula)
Chemical composition of the material the container is made from.
Specified using CIF conventions. Abbreviated version of CIF
standard:
* Only recognized element symbols may be used.
* Each element symbol is followed by a 'count' number. A count of
'1' may be omitted.
* A space or parenthesis must separate each cluster of (element
symbol + count).
* Where a group of elements is enclosed in parentheses, the
multiplier for the group must follow the closing parentheses.
That is, all element and group multipliers are assumed to be
printed as subscripted numbers.
* Unless the elements are ordered in a manner that corresponds to
their chemical structure, the order of the elements within any
group or moiety depends on whether or not carbon is present.
* If carbon is present, the order should be:
- C, then H, then the other elements in alphabetical order of
their symbol.
- If carbon is not present, the elements are listed purely in
alphabetic order of their symbol.
* This is the *Hill* system used by Chemical Abstracts.
- Parameters:
chemical_formula
- the chemical_formula
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getDensity
IDataset getDensity()
Density of the material the container is made from.
Type: NX_FLOAT
Units: NX_MASS_DENSITY
Dimensions: 1: n_comp;
- Returns:
- the value.
-
setDensity
DataNode setDensity(IDataset density)
Density of the material the container is made from.
Type: NX_FLOAT
Units: NX_MASS_DENSITY
Dimensions: 1: n_comp;
- Parameters:
density
- the density
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getDensityScalar
java.lang.Double getDensityScalar()
Density of the material the container is made from.
Type: NX_FLOAT
Units: NX_MASS_DENSITY
Dimensions: 1: n_comp;
- Returns:
- the value.
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setDensityScalar
DataNode setDensityScalar(java.lang.Double density)
Density of the material the container is made from.
Type: NX_FLOAT
Units: NX_MASS_DENSITY
Dimensions: 1: n_comp;
- Parameters:
density
- the density
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getPacking_fraction
IDataset getPacking_fraction()
Fraction of the volume of the container occupied by the material
forming the container.
Type: NX_FLOAT
Units: NX_UNITLESS
Dimensions: 1: n_comp;
- Returns:
- the value.
-
setPacking_fraction
DataNode setPacking_fraction(IDataset packing_fraction)
Fraction of the volume of the container occupied by the material
forming the container.
Type: NX_FLOAT
Units: NX_UNITLESS
Dimensions: 1: n_comp;
- Parameters:
packing_fraction
- the packing_fraction
-
getPacking_fractionScalar
java.lang.Double getPacking_fractionScalar()
Fraction of the volume of the container occupied by the material
forming the container.
Type: NX_FLOAT
Units: NX_UNITLESS
Dimensions: 1: n_comp;
- Returns:
- the value.
-
setPacking_fractionScalar
DataNode setPacking_fractionScalar(java.lang.Double packing_fraction)
Fraction of the volume of the container occupied by the material
forming the container.
Type: NX_FLOAT
Units: NX_UNITLESS
Dimensions: 1: n_comp;
- Parameters:
packing_fraction
- the packing_fraction
-
getRelative_molecular_mass
IDataset getRelative_molecular_mass()
Relative molecular mass of container.
Type: NX_FLOAT
Units: NX_MASS
Dimensions: 1: n_comp;
- Returns:
- the value.
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setRelative_molecular_mass
DataNode setRelative_molecular_mass(IDataset relative_molecular_mass)
Relative molecular mass of container.
Type: NX_FLOAT
Units: NX_MASS
Dimensions: 1: n_comp;
- Parameters:
relative_molecular_mass
- the relative_molecular_mass
-
getRelative_molecular_massScalar
java.lang.Double getRelative_molecular_massScalar()
Relative molecular mass of container.
Type: NX_FLOAT
Units: NX_MASS
Dimensions: 1: n_comp;
- Returns:
- the value.
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setRelative_molecular_massScalar
DataNode setRelative_molecular_massScalar(java.lang.Double relative_molecular_mass)
Relative molecular mass of container.
Type: NX_FLOAT
Units: NX_MASS
Dimensions: 1: n_comp;
- Parameters:
relative_molecular_mass
- the relative_molecular_mass
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getBeam
NXbeam getBeam()
Details of beam incident on container, including the position
relative to the sample (to determine whether the container is
upstream or downstream of the sample).
- Returns:
- the value.
-
setBeam
void setBeam(NXbeam beam)
Details of beam incident on container, including the position
relative to the sample (to determine whether the container is
upstream or downstream of the sample).
- Parameters:
beam
- the beam
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getShape
NXshape getShape()
Shape of the container. In combination with orientation this
should allow the beampath through the container to be modelled to
allow the adsorption to be calculated.
- Returns:
- the value.
-
setShape
void setShape(NXshape shape)
Shape of the container. In combination with orientation this
should allow the beampath through the container to be modelled to
allow the adsorption to be calculated.
- Parameters:
shape
- the shape
-
getOrientation
NXtransformations getOrientation()
The angle the container makes to the beam and how it may change
during the experiment.In combination with shape this should allow
the beampath through the container to be modelled to allow the
adsorption of the container to be calculated.
- Returns:
- the value.
-
setOrientation
void setOrientation(NXtransformations orientation)
The angle the container makes to the beam and how it may change
during the experiment.In combination with shape this should allow
the beampath through the container to be modelled to allow the
adsorption of the container to be calculated.
- Parameters:
orientation
- the orientation