Commit 9ad47ea0 authored by Joseph Rudzinski's avatar Joseph Rudzinski
Browse files

new metainfo for rdf/msd

parent 3329918a
Pipeline #128628 failed with stages
in 30 minutes and 5 seconds
Subproject commit 19b39e214ee17112cbc0537e38184e8056b20b32
Subproject commit 7636f7f192c347870c5587a72c819cf56dca1325
......@@ -1347,28 +1347,28 @@ class EnsemblePropertyValues(MSection):
type=str,
shape=[],
description='''
Describes the atoms or molecule types involved in determining this property.
Describes the atoms or molecule types involved in determining the property.
''')
bins = Quantity(
type=np.dtype(np.float64),
shape=[],
description='''
Distances along which the rdf was calculated.
Values of the variable/s along which the property was calculated.
''')
value = Quantity(
type=np.dtype(np.float64),
shape=[],
description='''
Values of the rdf.
Values of the property.
''')
error_value = Quantity(
type=np.dtype(np.float64),
shape=[],
description='''
Error bars associated with the determination of the ensemble property.
Error bars associated with the determination of the property.
''')
......@@ -1421,7 +1421,7 @@ class RdfValues(EnsemblePropertyValues):
bins = Quantity(
type=np.dtype(np.float64),
shape=[],
units='angstrom',
unit='angstrom',
description='''
Distances along which the rdf was calculated.
''')
......@@ -1456,14 +1456,14 @@ class CorrelationFunctionValues(MSection):
type=np.dtype(np.float64),
shape=[],
description='''
Bins along which the observable is calculated (i.e., values of the variables).
Time windows used for the calculation of the correlation function.
''')
value = Quantity(
type=np.dtype(np.float64),
shape=[],
description='''
Values of the observables.
Values of the correlation function.
''')
......@@ -1479,7 +1479,7 @@ class CorrelationFunction(MSection):
type=str,
shape=[],
description='''
Label of the observable.
Label of the correlation function.
''')
......@@ -1493,7 +1493,7 @@ class DiffusionConstantValues(EnsemblePropertyValues):
value = Quantity(
type=np.dtype(np.float64),
shape=[],
units='nanometer^2/picosecond',
unit='nanometer^2/picosecond',
description='''
Values of the diffusion constants.
''')
......@@ -1508,13 +1508,13 @@ class DiffusionConstantValues(EnsemblePropertyValues):
error_value = Quantity(
type=np.dtype(np.float64),
shape=[],
units='nanometer^2/picosecond',
unit='nanometer^2/picosecond',
description='''
Error bars associated with the determination of the diffusion constant.
Error associated with the determination of the diffusion constant.
''')
class MsdValues(MSection):
class MsdValues(CorrelationFunctionValues):
'''
Section containing information regarding the values of a mean squared displacements (msds).
'''
......@@ -1524,7 +1524,7 @@ class MsdValues(MSection):
times = Quantity(
type=np.dtype(np.float64),
shape=[],
units='picosecond',
unit='picosecond',
description='''
Time windows used for the calculation of the msds.
''')
......@@ -1532,6 +1532,7 @@ class MsdValues(MSection):
value = Quantity(
type=np.dtype(np.float64),
shape=[],
unit='nanometer^2',
description='''
Msd values.
''')
......
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