Data Model version 2.1.2
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Class: DataMatrix


    Matrix of per-atom, per-model data. Data matrices named 'coordinates', 'bFactors', and 'occupancies' are created when the first Model object is created
Attributes
Link Attributes
Attribute Methods
Link Attribute Methods
Class Methods
Factory Methods
Other Methods
Appendix

Inheritance:


Details:

Parent: link structureEnsemble to class StructureEnsemble
Main key: name
Mandatory Attributes: name, shape
Known Subclasses: None
Children: None
Constructor: newObj = DataMatrix( structureEnsemble,name=value, shape=value, ... )

Attributes (in package)

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Attribute Type Multiplicity Description
data Float 0..* Matrix data as packed list.  
defaultValue Float 1..1 default value of data in matrix. Used instead of values that are not explicitly set.  
details Text 0..1 Free text, for notes, explanatory comments, etc.  
name EnsembleDataNames 1..1 name of DataMatrix. Names should use spellings in EnsembleDataNames when relevant.  
ndim PositiveInt 1..1 Derived. Number of matrix dimensions  
shape NonNegativeInt 1..* Matrix shape, slowest moving index first. SIze in first dimension (only) may be zero.  
size NonNegativeInt 1..1 Derived. Matrix size - product of dimensions sizes  
unit Word 0..1 Unit for values in data. If not set, data are assumed to be in default units, which are: coordinates: Angstrom velocities: Angstrom/s times: s temperatures: K partialCharges: electron charge unit  

Inherited Attributes (not in package): applicationDataclassNamefieldNamesinConstructorisDeletedmetaclasspackageNamepackageShortNamequalifiedName

Link Attributes (in package)

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Attribute Type Multiplicity Description
parent StructureEnsemble 1..1 link to parent object - synonym for structureEnsemble  
structureEnsemble StructureEnsemble 1..1 (Parent link). parent link  

Inherited Attributes (not in package): accessactiveAccessroottopObject

Attribute Methods (in package)

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Attribute Method Return Parameters Comment
data
getData Float Tuple -
setData - Float List
defaultValue
getDefaultValue Float -
setDefaultValue - Float
details
getDetails Text -
setDetails - Text
name
getName EnsembleDataNames -
setName - EnsembleDataNames
ndim
getNdim PositiveInt - non-std.
shape
getShape NonNegativeInt Tuple -
setShape - NonNegativeInt List
size
getSize NonNegativeInt - non-std.
unit
getUnit Word -
setUnit - Word

Link Attribute Methods (in package)

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Attribute Method Return Parameters Comment
parent
getParent StructureEnsemble -
structureEnsemble
getStructureEnsemble StructureEnsemble -

Class Methods (in package)

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Method Return Parameters Comment
checkValid - Boolean
checkAllValid - Boolean
getByKey DataMatrix memops.api.Implementation.MemopsObject, Any List static
getFullKey Any List Boolean
getLocalKey Any -
get Any String
set - String, Any

Factory Methods (in package)

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Method Return Parameters
None

Other Methods (in package)

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Method Return Parameters Comment
getPointValue Float Int List non-std. get value of matrix at position 'point'. Point is converted as for self.pointToIndex.
getSubmatrixData Float List Int List, Int List non-std. get data (packed linear array)  for submatrix of shape 'shape' with 'point' as the corner with the smallest index values. point is convered as for self.pointToIndex. 'shape values that are omitted or set to zero are reset to the (rest of the) dimension size.
indexToPoint Int List Int non-std. Converts array index to equivalent point
pointToIndex Int Int List non-std. converts point to equivalent array index. Point is padded to matrix dimension with zeros. negative index values -i in point are treated as eqal to (size-i).
removeSlice - Int non-std. Remove slice of matrix in slowest verying dimension at offset index.
resetData - - non-std. Reset data to default values and free memory used.
setPointValue - Int List, Float non-std. set value of matrix at position 'point'. Point is converted as for self.pointToIndex.
setSubmatrixData - Int List, Int List, Float List non-std. set data for submatrix of shape 'shape' with 'point' as the corner with the smallest index values to 'values' (packed linear array). Point is converted as for self.pointToIndex.  shape values that are omitted or set to zero are reset to the (rest of the) dimension size.
sizeFirstDim - Int non-std. Change size in first (slowest) dimension, truncating or padding with self.defaultValue as necessary.

Appendix

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guid:

www.ccpn.ac.uk_Fogh_2011-03-30-17:55:16_00001

isImplicit:

False

Tag

Value
repositoryId $Id: $

Tag

Value
repositoryTag $Name: $

Special constructor code:

None

Special destructor code:

None

Special postDestructor code:

None

Constraints:

None
Known inward one-way links: None
  Data Model Version 2.1.2
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  Work done by the CCPN team.
www.ccpn.ac.uk