From 523a9c202aa97612ed616f6545e4f84882a4687f Mon Sep 17 00:00:00 2001
From: speckhard <dts@stanford.edu>
Date: Mon, 25 Mar 2019 14:48:10 +0100
Subject: [PATCH] fix float regex.
---
elasticparser/elastic_parser_input_wien2k.py | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/elasticparser/elastic_parser_input_wien2k.py b/elasticparser/elastic_parser_input_wien2k.py
index 9e2494d..107fa8f 100644
--- a/elasticparser/elastic_parser_input_wien2k.py
+++ b/elasticparser/elastic_parser_input_wien2k.py
@@ -99,13 +99,13 @@ def buildStructureMatchers():
startReStr = r"(?P<x_elastic_wien2k_system_nameIn>.*)"),
SM(r"\w+\s*LATTICE,NONEQUIV\.ATOMS.\s*(?P<x_elastic_wien2k_nonequiv_atoms>[0-9]+)"),
SM(r"(?P<x_elastic_wien2k_calc_mode>.*)"),
- # SM(r"\s*(?P<x_wien2k_unit_cell_param_a>[-+0-9.eEdD]+)\s*(?P<x_wien2k_unit_cell_param_b>[-+0-9.eEdD]+)\s*(?P<x_wien2k_unit_cell_param_c>[-+0-9.eEdD]+)\s*(?P<x_wien2k_angle_between_unit_axis_alfa>[-+0-9.eEdD]{9})\s*(?P<x_wien2k_angle_between_unit_axis_beta>[-+0-9.eEdD]{9})\s*(?P<x_wien2k_angle_between_unit_axis_gamma>[-+0-9.eEdD]+)"),
+ # SM(r"\s*(?P<x_wien2k_unit_cell_param_a>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*(?P<x_wien2k_unit_cell_param_b>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*(?P<x_wien2k_unit_cell_param_c>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*(?P<x_wien2k_angle_between_unit_axis_alfa>[-+0-9.eEdD]{9})\s*(?P<x_wien2k_angle_between_unit_axis_beta>[-+0-9.eEdD]{9})\s*(?P<x_wien2k_angle_between_unit_axis_gamma>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)"),
SM(r"\s*(?P<x_elastic_wien2k_unit_cell_param_a__angstrom>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_elastic_wien2k_unit_cell_param_b__angstrom>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_elastic_wien2k_unit_cell_param_c__angstrom>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_elastic_wien2k_angle_between_unit_axis_alfa>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_elastic_wien2k_angle_between_unit_axis_beta>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_elastic_wien2k_angle_between_unit_axis_gamma>[-+]?[0-9]*\.\d*)"),
- SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_elastic_wien2k_atom_pos_x__angstrom>[-+0-9.eEdD]+)\s*Y=(?P<x_elastic_wien2k_atom_pos_y__angstrom>[-+0-9.eEdD]+)\s*Z=(?P<x_elastic_wien2k_atom_pos_z__angstrom>[-+0-9.eEdD]+)",
+ SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_elastic_wien2k_atom_pos_x__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_elastic_wien2k_atom_pos_y__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_elastic_wien2k_atom_pos_z__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
repeats=True,
sections=["x_elastic_wien2k_section_equiv_atoms"],
subMatchers=[
- SM(r"\s*[-0-9]+:\s*X=(?P<x_elastic_wien2k_atom_pos_x__angstrom>[-+0-9.eEdD]+)\s*Y=(?P<x_elastic_wien2k_atom_pos_y__angstrom>[-+0-9.eEdD]+)\s*Z=(?P<x_elastic_wien2k_atom_pos_z__angstrom>[-+0-9.eEdD]+)",
+ SM(r"\s*[-0-9]+:\s*X=(?P<x_elastic_wien2k_atom_pos_x__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_elastic_wien2k_atom_pos_y__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_elastic_wien2k_atom_pos_z__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
repeats=True
),
# SM(r"\s*(?P<atom>.{10})\s*NPT=\s*(?P<NPT>[0-9]+)\s*R0=(?P<r0>[0-9.]+)\s*RMT=\s*(?P<rmt>[0-9.]+)\s*Z:\s*(?P<z>[0-9.]+)",)
--
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