Commit 8a01b134 authored by Sebastian Alarcon Villaseca's avatar Sebastian Alarcon Villaseca
Browse files

Checking brackets errors

parent 6094f1b0
...@@ -127,12 +127,12 @@ def build_OrcaMainFileSimpleMatcher(): ...@@ -127,12 +127,12 @@ def build_OrcaMainFileSimpleMatcher():
return SM( return SM(
name = 'root', name = 'root',
weak = True, weak = True,
startReStr = r"\s*\* O R C A \*\s", startReStr = r"\s*\* O R C A \*\s*",
forwardMatch = True, forwardMatch = True,
sections = ["section_run"], sections = ["section_run"],
subMatchers = [ subMatchers = [
SM(name = 'ProgramHeader', SM(name = 'ProgramHeader',
startReStr = r"\s*\* O R C A \*\s", startReStr = r"\s*\* O R C A \*\s*",
subMatchers = [ subMatchers = [
SM(r"\s*Program Version\s*(?P<program_version>[0-9a-zA-Z_.]*)"), SM(r"\s*Program Version\s*(?P<program_version>[0-9a-zA-Z_.]*)"),
SM(r" *\(\$Date\: *(?P<orca_program_compilation_date>[0-9/]+) at (?P<orca_program_compilation_time>[0-9:]+)") SM(r" *\(\$Date\: *(?P<orca_program_compilation_date>[0-9/]+) at (?P<orca_program_compilation_time>[0-9:]+)")
...@@ -151,7 +151,7 @@ def buildSinglePointMatcher(): ...@@ -151,7 +151,7 @@ def buildSinglePointMatcher():
subMatchers = [ subMatchers = [
# Get atomic positions: # Get atomic positions:
SM(name = 'Atomic Coordinates', SM(name = 'Atomic Coordinates',
startReStr = r"CARTESIAN COORDINATES (ANGSTROEM)\s*", startReStr = r"CARTESIAN COORDINATES \(ANGSTROEM\)\s*",
sections = ["x_orca_atom_positions"], sections = ["x_orca_atom_positions"],
subMatchers = [ subMatchers = [
SM(r"\s+(?P<x_orca_atom_labels>[a-zA-Z]+)\s+(?P<x_orca_atom_positions_x>[-+0-9.]+)\s+(?P<orca_atom_positions_y>[-+0-9.]+)\s+(?P<x_orca_atom_positions_z>[-+0-9.]+)", repeats = True) SM(r"\s+(?P<x_orca_atom_labels>[a-zA-Z]+)\s+(?P<x_orca_atom_positions_x>[-+0-9.]+)\s+(?P<orca_atom_positions_y>[-+0-9.]+)\s+(?P<x_orca_atom_positions_z>[-+0-9.]+)", repeats = True)
......
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