cylindra.cylmeasure
CylinderSurface
Class to define the surface of a spline cylinder.
Source code in cylindra/cylmeasure.py
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transform_vector(vec, start)
Transform vector(s) to (r, y, a).
Source code in cylindra/cylmeasure.py
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LatticeParameters
Source code in cylindra/cylmeasure.py
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calculate(mole, spl=None)
Calculate this lattice parameter for the given molecule.
Source code in cylindra/cylmeasure.py
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RegionProfiler
Source code in cylindra/cylmeasure.py
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calculate(props, *more_props)
Calculate properties for each region.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
props |
str or list of str
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Property names. Must be chosen from following: - area: total number of molecules. - length: longitudinal length of the region. - width: lateral width of the region. - sum: sum of target values. - mean: mean of target values. - median: median of target values. - max: max of target values. - min: min of target values. - std: standard deviation of target values. |
required |
Returns:
Type | Description |
---|---|
DataFrame
|
DataFrame with columns corresponding to the given property names. |
Source code in cylindra/cylmeasure.py
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from_components(mole, spl, target='nth', label='pf-id')
classmethod
Construct a region profiler from molecules and splines.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
mole |
Molecules
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Molecules to be profiled. Must have features "nth", "pf-id". |
required |
spl |
CylSpline
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Spline from which the molecules are generated. |
required |
target |
str
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Column name of the target values. This is not needed if properties that do not require target values are to be calculated. |
'nth'
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label |
str
|
Column name of the label values. Must be an integer column. |
'pf-id'
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Source code in cylindra/cylmeasure.py
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n_regions()
Number of regions.
Source code in cylindra/cylmeasure.py
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calc_curve_index(mole, spl)
The curve orientation index.
The curve orientation is defined as the cosine of the angle between the second derivative and the relative molecule vector. That is, the inside of the curve is positive.
Source code in cylindra/cylmeasure.py
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calc_elevation_angle(mole, spl)
Calculate the elevation angle of the longitudinal neighbors.
Source code in cylindra/cylmeasure.py
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calc_radius(mole, spl)
Calculate the radius of each molecule.
Source code in cylindra/cylmeasure.py
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calc_rise(mole, spl)
Add a column of rise angles of each molecule.
Source code in cylindra/cylmeasure.py
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calc_skew(mole, spl)
Calculate the skew of each molecule to the next one.
Source code in cylindra/cylmeasure.py
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calc_spacing(mole, spl)
Calculate the interval of each molecule to the next one.
Source code in cylindra/cylmeasure.py
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calc_twist(mole, spl)
Calculate the twist of each molecule to the next one.
Source code in cylindra/cylmeasure.py
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