From 2b73f43bb15866d2216bbd2bc235362e638391d8 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Pavel=20Ondra=C4=8Dka?= <pavel.ondracka@gmail.com> Date: Tue, 27 Oct 2020 10:34:00 +0100 Subject: [PATCH] More cleanups from the separate complex parsers removal This reverts commit cf6abfe712ff2d0052947f46bdb27131ac6fbaf8 and and just uses the x_wien2k_in2_* variables intead --- wien2kparser/metainfo/wien2k.py | 24 ------------------------ wien2kparser/wien2k_parser_in2.py | 6 +++--- 2 files changed, 3 insertions(+), 27 deletions(-) diff --git a/wien2kparser/metainfo/wien2k.py b/wien2kparser/metainfo/wien2k.py index 9f3cd2f..e7752ae 100644 --- a/wien2kparser/metainfo/wien2k.py +++ b/wien2kparser/metainfo/wien2k.py @@ -761,29 +761,5 @@ class section_method(public.section_method): repeats=True, a_legacy=LegacyDefinition(name='x_wien2k_section_XC')) - x_wien2k_in2c_switch = Quantity( - type=str, - a_legacy=LegacyDefinition(name='x_wien2k_in2c_switch')) - - x_wien2k_in2c_emin = Quantity( - type=np.dtype(np.float64), - a_legacy=LegacyDefinition(name='x_wien2k_in2c_emin')) - - x_wien2k_in2c_ne = Quantity( - type=np.dtype(np.float64), - a_legacy=LegacyDefinition(name='x_wien2k_in2c_ne')) - - x_wien2k_in2c_espermin = Quantity( - type=np.dtype(np.float64), - a_legacy=LegacyDefinition(name='x_wien2k_in2c_espermin')) - - x_wien2k_in2c_esper0 = Quantity( - type=np.dtype(np.float64), - a_legacy=LegacyDefinition(name='x_wien2k_in2c_esper0')) - - x_wien2k_in2c_gmax = Quantity( - type=np.dtype(np.float64), - a_legacy=LegacyDefinition(name='x_wien2k_in2c_gmax')) - m_package.__init_metainfo__() diff --git a/wien2kparser/wien2k_parser_in2.py b/wien2kparser/wien2k_parser_in2.py index 5f5d11f..30301a7 100644 --- a/wien2kparser/wien2k_parser_in2.py +++ b/wien2kparser/wien2k_parser_in2.py @@ -56,10 +56,10 @@ def buildIn2Matchers(): subMatchers = [ # SM(name = 'systemName', # startReStr = r"(?P<x_wien2k_system_nameIn>.*)"), - SM(r"\s*(?P<x_wien2k_in2c_switch>[A-Z]+)\s*.*"), - SM(r"\s*(?P<x_wien2k_in2c_emin>[-+0-9.]+)\s*(?P<x_wien2k_in2c_ne>[-+0-9.]+)\s*(?P<x_wien2k_in2c_espermin>[-+0-9.]+)\s*(?P<x_wien2k_in2c_esper0>[-+0-9.]+)\s*.*"), + SM(r"\s*(?P<x_wien2k_in2_switch>[A-Z]+)\s*.*"), + SM(r"\s*(?P<x_wien2k_in2_emin>[-+0-9.]+)\s*(?P<x_wien2k_in2_ne>[-+0-9.]+)\s*(?P<x_wien2k_in2_espermin>[-+0-9.]+)\s*(?P<x_wien2k_in2_esper0>[-+0-9.]+)\s*.*"), SM(r"\s*(?P<x_wien2k_smearing_kind>[A-Z]+)\s*\s*(?P<smearing_width__rydberg>[-+0-9.]+)\s*.*"), - SM(r"\s*(?P<x_wien2k_in2c_gmax>[-+0-9.]+)\s*GMAX") + SM(r"\s*(?P<x_wien2k_in2_gmax>[-+0-9.]+)\s*GMAX") ]) -- GitLab