create XML file with all the parameters

- script to generate XML file from existing CSV files
- script to reconstruct CSV files from XML file

docs/docs/parameters/generate-parameter-tables.py

@@ -0,0 +1,42 @@
+import xml.etree.ElementTree as ET
+
+
+groups = {
+    'w90': [
+        'disentanglement',
+        'job',
+        'plot',
+        'system',
+        'transport',
+        'wannierise',
+    ],
+    'postw90': [
+        'berry',
+        'boltzwann',
+        'dos',
+        'geninterp',
+        'global',
+        'gyrotropic',
+        'kpath',
+        'kslice',
+    ],
+}
+
+tree = ET.parse('parameters.xml')
+root = tree.getroot()
+
+for tool in ['w90', 'postw90']:
+    for group in groups[tool]:
+        parameters = root.findall(f'./parameter[@tool="{tool}"][@group="{group}"]')
+        with open(f'{tool}-{group}-parameters.csv', 'w') as fp:
+            print('Keyword,Type,Description', file=fp)
+            for parameter in parameters:
+                name = parameter.find('name')
+                type = parameter.find('type')
+                description = parameter.find('description')
+                if 'optional_prefix' in name.attrib:
+                    print(f'[{name.attrib["optional_prefix"]}]{name.text},', end='', file=fp)
+                else:
+                    print(f'{name.text},', end='', file=fp)
+                print(f'{type.text},', end='', file=fp)
+                print(f'"{description.text}"', file=fp)

docs/docs/parameters/parameters-csv2xml.py

@@ -0,0 +1,63 @@
+import re
+import xml.etree.ElementTree as ET
+
+import pandas as pd
+
+
+csv_files = [
+    'w90-system-parameters.csv',
+    'w90-job-parameters.csv',
+    'w90-disentanglement-parameters.csv',
+    'w90-wannierise-parameters.csv',
+    'w90-plot-parameters.csv',
+    'w90-transport-parameters.csv',
+    'postw90-global-parameters.csv',
+    'postw90-berry-parameters.csv',
+    'postw90-dos-parameters.csv',
+    'postw90-kpath-parameters.csv',
+    'postw90-kslice-parameters.csv',
+    'postw90-gyrotropic-parameters.csv',
+    'postw90-boltzwann-parameters.csv',
+    'postw90-geninterp-parameters.csv',
+]
+
+root = ET.Element('root')
+tree = ET.ElementTree(root)
+
+pattern = re.compile(r'(?P<tool>.+)-(?P<group>.+)-parameters.csv')
+
+for csv_file in csv_files:
+    match1 = pattern.match(csv_file)
+
+    table = pd.read_csv(
+            csv_file,
+                header=0,
+                names=('keyword', 'type', 'description'),
+                converters={'keyword': str.strip, 'type': str.strip, 'description': str.strip}
+            )
+
+    for row in table.itertuples():
+        parameter = ET.SubElement(root, 'parameter')
+        parameter.set('tool', match1['tool'])
+        parameter.set('group', match1['group'])
+        # tool = ET.SubElement(parameter, 'tool')
+        # group = ET.SubElement(parameter, 'group')
+        name = ET.SubElement(parameter, 'name')
+        # optional_prefix = ET.SubElement(parameter, 'optional_prefix')
+        type = ET.SubElement(parameter, 'type')
+        description = ET.SubElement(parameter, 'description')
+
+        if (match2 := re.compile(r'^\[(?P<prefix>.+_)\]').match(row.keyword)) is not None:
+            name.text = row.keyword.replace(f'[{match2["prefix"]}]', '')
+            # optional_prefix.text = match2['prefix']
+            name.set('optional_prefix', match2['prefix'])
+        else:
+            name.text = row.keyword
+        # tool.text = match1['tool']
+        # group.text = match1['group']
+        type.text = row.type
+        description.text = row.description
+
+ET.indent(tree)
+with open('parameters.xml', 'wb') as fp:
+    tree.write(fp)