initial renaming support

meta_info/renames/renamer.py

+#!/bin/env python
+
+import os
+import tempfile
+import re
+import logging
+from io import open
+from io import StringIO
+
+def loadRenamesFile(renamesPath):
+    """Loads the content of a rename file"""
+    renamesRe = re.compile(
+        r"\s*(?P<old>[a-zA-Z0-9_]+)\s*->\s*(?P<new>[a-zA-Z0-9_]+)\s*$")
+    renames = {}
+    with open(renamesPath, encoding='utf-8') as f:
+        while True:
+            line = f.readline()
+            if not line:
+                break
+            m = renamesRe.match(line)
+            if m:
+                renames[m.group("old")] = m.group("new")
+            elif not line.isspace():
+                logging.warn("Unexpected line %r in %s", line, renamesPath)
+    return renames
+
+def renamesSearchRe(renames):
+    """creates a regular expression that matches the words that should be renamed"""
+    res = StringIO()
+    res.write(r"\b(")
+    first = True
+    for k in renames.keys():
+        if not first:
+            res.write("|")
+        else:
+            first = False
+        res.write(k)
+    res.write(r")\b")
+    renameReStr = res.getvalue()
+    return re.compile(renameReStr)
+
+def replaceInFile(filePath, replacements):
+    """performs the replacements in the given file"""
+    renameRe = renamesSearchRe(replacements)
+    outF = tempfile.NamedTemporaryFile(
+        mode="w", suffix='', prefix='tmp', dir=os.path.dirname(filePath), delete=False, encoding='utf-8')
+    didReplace = {}
+    lineNr = 0
+    with outF:
+        with open(filePath, encoding='utf-8') as inF:
+            while True:
+                line = inF.readline()
+                if not line:
+                    break
+                lineNr += 1
+                ii = 0
+                for m in renameRe.finditer(line):
+                    old = m.group(1)
+                    didReplace[old] = didReplace.get(old, []) + [lineNr]
+                    outF.write(line[ii:m.start()])
+                    outF.write(replacements[old])
+                    ii = m.end()
+                outF.write(line[ii:])
+    if didReplace:
+        bkPathBase = filePath + ".bk"
+        bkPath = bkPathBase
+        # non atomic (should really create if not there)
+        ii = 0
+        while os.path.exists(bkPath):
+            ii += 1
+            bkPath = bkPathBase + str(ii)
+        os.rename(filePath, bkPath)
+        os.rename(outF.name, filePath)
+        print("%r: {" % filePath)
+        for k,v in didReplace.items():
+            print(k,'->',replacements[k],":",v)
+        print("}\nBackup in ",bkPath)
+
+if __name__ == "__main__":
+    import sys
+    renamesPath = os.path.join(os.path.dirname(__file__), "renames.txt")
+    renames = loadRenamesFile(renamesPath)
+    for f in sys.argv[1:]:
+        try:
+            replaceInFile(f, renames)
+        except:
+            logging.exception("handling file %s", f)
+    print("DONE")

meta_info/renames/renames.txt

+XC_method -> xc_method
+energy_type_van_der_Waals -> energy_type_van_der_waals
+XC_functional_weight -> xc_functional_weight
+XC_functional_parameters -> xc_functional_parameters
+energy_van_der_Waals -> energy_van_der_waals
+spin_S2_scf_iteration -> spin_s2_scf_iteration
+energy_van_der_Waals_value -> energy_van_der_waals_value
+energy_type_XC -> energy_type_xc
+section_XC_functionals -> section_xc_functionals
+energy_total_T0 -> energy_total_t0
+settings_GW -> settings_gw
+energy_T0_per_atom -> energy_t0_per_atom
+XC_functional -> xc_functional
+energy_hartree_fock_X_scaled -> energy_hartree_fock_x_scaled
+energy_total_T0_per_atom_scf_iteration -> energy_total_t0_per_atom_scf_iteration
+atom_forces_T0 -> atom_forces_t0
+van_der_Waals_method -> van_der_waals_method
+spin_S2 -> spin_s2
+energy_XC_functional -> energy_xc_functional
+energy_total_T0_scf_iteration -> energy_total_t0_scf_iteration
+XC_functional_name -> xc_functional_name
+energy_XC_scf_iteration -> energy_xc_scf_iteration
+settings_van_der_Waals -> settings_van_der_waals
+energy_C -> energy_c
+energy_XC_potential -> energy_xc_potential
+atom_forces_T0_raw -> atom_forces_t0_raw
+section_energy_van_der_Waals -> section_energy_van_der_waals
+XC_method_current -> xc_method_current
+settings_Monte_Carlo -> settings_monte_carlo
+energy_type_C -> energy_type_c
+settings_XC -> settings_xc
+energy_van_der_Waals_kind -> energy_van_der_waals_kind
+SC_matrix -> sc_matrix
+settings_MCSCF -> settings_mcscf
+energy_X -> energy_x
+energy_XC_potential_scf_iteration -> energy_xc_potential_scf_iteration
+settings_XC_functional -> settings_xc_functional
+energy_type_X -> energy_type_x
+thermodynamical_property_heat_capacity_C_v -> thermodynamical_property_heat_capacity_c_v
+energy_XC -> energy_xc
+energy_total_T0_per_atom -> energy_total_t0_per_atom
+energy_hartree_fock_X -> energy_hartree_fock_x