hvPlotters function tests

15/07/20

Testing basic plotting with Holoviews, now implemented in hvPlotters.py module.

NOTE: currently implemented for ePS cross-section data only.

Setup

# Standard libs
import sys
import os
from pathlib import Path
import numpy as np
import xarray as xr

from datetime import datetime as dt
timeString = dt.now()

# For reporting
import scooby
# scooby.Report(additional=['holoviews', 'hvplot', 'xarray', 'matplotlib', 'bokeh'])
# TODO: set up function for this, see https://github.com/banesullivan/scooby

# Installed package version
# import epsproc as ep

# ePSproc test codebase (local)
if sys.platform == "win32":
    modPath = r'D:\code\github\ePSproc'  # Win test machine
else:
    modPath = r'/home/femtolab/github/ePSproc/'  # Linux test machine

sys.path.append(modPath)
import epsproc as ep

* plotly not found, plotly plots not available.
* pyevtk not found, VTK export not available.

Load test data

# Load data from modPath\data
dataPath = os.path.join(modPath, 'data', 'photoionization')
dataFile = os.path.join(dataPath, 'n2_3sg_0.1-50.1eV_A2.inp.out')  # Set for sample N2 data for testing

# Scan data file
dataSet = ep.readMatEle(fileIn = dataFile)
dataXS = ep.readMatEle(fileIn = dataFile, recordType = 'CrossSection')  # XS info currently not set in NO2 sample file.

*** ePSproc readMatEle(): scanning files for DumpIdy segments.

*** Scanning file(s)
['/home/femtolab/github/ePSproc/data/photoionization/n2_3sg_0.1-50.1eV_A2.inp.out']

*** Reading ePS output file:  /home/femtolab/github/ePSproc/data/photoionization/n2_3sg_0.1-50.1eV_A2.inp.out
Expecting 51 energy points.
Expecting 2 symmetries.
Scanning CrossSection segments.
Expecting 102 DumpIdy segments.
Found 102 dumpIdy segments (sets of matrix elements).

Processing segments to Xarrays...
Processed 102 sets of DumpIdy file segments, (0 blank)
*** ePSproc readMatEle(): scanning files for CrossSection segments.

*** Scanning file(s)
['/home/femtolab/github/ePSproc/data/photoionization/n2_3sg_0.1-50.1eV_A2.inp.out']

*** Reading ePS output file:  /home/femtolab/github/ePSproc/data/photoionization/n2_3sg_0.1-50.1eV_A2.inp.out
Expecting 51 energy points.
Expecting 2 symmetries.
Scanning CrossSection segments.
Expecting 3 CrossSection segments.
Found 3 CrossSection segments (sets of results).
Processed 3 sets of CrossSection file segments, (0 blank)

hv XCplot demo

This is now working for XC data only, to give interactive plots with Holoviews + Bokeh, and all calculation gauges.

Basic use

Load functions, set defaults and plot.

# Import plotting code
from epsproc.plot import hvPlotters

# Set options
hvPlotters.setPlotters()

# Basic use to produce two plot layout
layout, *_ = hvPlotters.XCplot(dataXS[0])

layout