Commit 628e4b33 authored by Daniel Speckhard's avatar Daniel Speckhard
Browse files

fixed float regex.

parent 7547643f
......@@ -60,11 +60,11 @@ def buildIn1Matchers():
SM(r"\s*(?P<x_wien2k_rkmax>[0-9.]+)\s*[0-9]+\s*[0-9]+\s*\WR-..\WK-...; MAX \w*.*")
# SM(r"(?P<x_wien2k_calc_mode>.*)"),
# SM(r"\s*(?P<x_wien2k_unit_cell_param_a>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_b>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_c>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_alfa>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_beta>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_gamma>[-+]?[0-9]*\.\d*)"),
# SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z>[-+0-9.eEdD]+)",
# SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
# repeats=True,
# sections=["x_wien2k_section_equiv_atoms"],
# subMatchers=[
# SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z>[-+0-9.eEdD]+)",
# SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
# repeats=True
# ),
# SM(r"\s*(?P<x_wien2k_atom_name>^.+)\s*NPT=\s*(?P<x_wien2k_NPT>[0-9]+)\s*R0=(?P<x_wien2k_R0>[0-9.]+)\s*RMT=\s*(?P<x_wien2k_RMT>[0-9.]+)\s*Z:\s*(?P<x_wien2k_atomic_number_Z>[0-9.]+)",)
......
......@@ -60,11 +60,11 @@ def buildIn1cMatchers():
SM(r"\s*(?P<x_wien2k_rkmax>[0-9.]+)\s*[0-9]+\s*[0-9]+\s*\WR-..\WK-...; MAX \w*.*")
# SM(r"(?P<x_wien2k_calc_mode>.*)"),
# SM(r"\s*(?P<x_wien2k_unit_cell_param_a>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_b>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_c>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_alfa>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_beta>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_gamma>[-+]?[0-9]*\.\d*)"),
# SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z>[-+0-9.eEdD]+)",
# SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
# repeats=True,
# sections=["x_wien2k_section_equiv_atoms"],
# subMatchers=[
# SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z>[-+0-9.eEdD]+)",
# SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
# repeats=True
# ),
# SM(r"\s*(?P<x_wien2k_atom_name>^.+)\s*NPT=\s*(?P<x_wien2k_NPT>[0-9]+)\s*R0=(?P<x_wien2k_R0>[0-9.]+)\s*RMT=\s*(?P<x_wien2k_RMT>[0-9.]+)\s*Z:\s*(?P<x_wien2k_atomic_number_Z>[0-9.]+)",)
......
......@@ -100,13 +100,13 @@ def buildStructureMatchers():
startReStr = r"(?P<x_wien2k_system_nameIn>.*)"),
SM(r"\w+\s*LATTICE,NONEQUIV\.ATOMS.\s*(?P<x_wien2k_nonequiv_atoms>[0-9]+)"),
SM(r"(?P<x_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_wien2k_unit_cell_param_a__angstrom>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_b__angstrom>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_c__angstrom>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_alfa>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_beta>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_gamma>[-+]?[0-9]*\.\d*)"),
SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x__angstrom>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y__angstrom>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z__angstrom>[-+0-9.eEdD]+)",
SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
repeats=True,
sections=["x_wien2k_section_equiv_atoms"],
subMatchers=[
SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x__angstrom>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y__angstrom>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z__angstrom>[-+0-9.eEdD]+)",
SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_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.]+)",)
......
......@@ -60,11 +60,11 @@ def buildIn1Matchers():
SM(r"\s*(?P<x_wien2k_rkmax>[0-9.]+)\s*[0-9]+\s*[0-9]+\s*\WR-..\WK-...; MAX \w*.*")
# SM(r"(?P<x_wien2k_calc_mode>.*)"),
# SM(r"\s*(?P<x_wien2k_unit_cell_param_a>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_b>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_c>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_alfa>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_beta>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_gamma>[-+]?[0-9]*\.\d*)"),
# SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z>[-+0-9.eEdD]+)",
# SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
# repeats=True,
# sections=["x_wien2k_section_equiv_atoms"],
# subMatchers=[
# SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z>[-+0-9.eEdD]+)",
# SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
# repeats=True
# ),
# SM(r"\s*(?P<x_wien2k_atom_name>^.+)\s*NPT=\s*(?P<x_wien2k_NPT>[0-9]+)\s*R0=(?P<x_wien2k_R0>[0-9.]+)\s*RMT=\s*(?P<x_wien2k_RMT>[0-9.]+)\s*Z:\s*(?P<x_wien2k_atomic_number_Z>[0-9.]+)",)
......
......@@ -60,11 +60,11 @@ def buildIn1cMatchers():
SM(r"\s*(?P<x_wien2k_rkmax>[0-9.]+)\s*[0-9]+\s*[0-9]+\s*\WR-..\WK-...; MAX \w*.*")
# SM(r"(?P<x_wien2k_calc_mode>.*)"),
# SM(r"\s*(?P<x_wien2k_unit_cell_param_a>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_b>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_c>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_alfa>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_beta>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_gamma>[-+]?[0-9]*\.\d*)"),
# SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z>[-+0-9.eEdD]+)",
# SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
# repeats=True,
# sections=["x_wien2k_section_equiv_atoms"],
# subMatchers=[
# SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z>[-+0-9.eEdD]+)",
# SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
# repeats=True
# ),
# SM(r"\s*(?P<x_wien2k_atom_name>^.+)\s*NPT=\s*(?P<x_wien2k_NPT>[0-9]+)\s*R0=(?P<x_wien2k_R0>[0-9.]+)\s*RMT=\s*(?P<x_wien2k_RMT>[0-9.]+)\s*Z:\s*(?P<x_wien2k_atomic_number_Z>[0-9.]+)",)
......
......@@ -100,13 +100,13 @@ def buildStructureMatchers():
startReStr = r"(?P<x_wien2k_system_nameIn>.*)"),
SM(r"\w+\s*LATTICE,NONEQUIV\.ATOMS.\s*(?P<x_wien2k_nonequiv_atoms>[0-9]+)"),
SM(r"(?P<x_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_wien2k_unit_cell_param_a__angstrom>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_b__angstrom>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_unit_cell_param_c__angstrom>[-+0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_alfa>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_beta>[-+]?[0-9]*\.\d{0,6}){0,10}\s*(?P<x_wien2k_angle_between_unit_axis_gamma>[-+]?[0-9]*\.\d*)"),
SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x__angstrom>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y__angstrom>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z__angstrom>[-+0-9.eEdD]+)",
SM(r"\s*ATOM\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_wien2k_atom_pos_z__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)",
repeats=True,
sections=["x_wien2k_section_equiv_atoms"],
subMatchers=[
SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x__angstrom>[-+0-9.eEdD]+)\s*Y=(?P<x_wien2k_atom_pos_y__angstrom>[-+0-9.eEdD]+)\s*Z=(?P<x_wien2k_atom_pos_z__angstrom>[-+0-9.eEdD]+)",
SM(r"\s*[-0-9]+:\s*X=(?P<x_wien2k_atom_pos_x__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Y=(?P<x_wien2k_atom_pos_y__angstrom>[-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)\s*Z=(?P<x_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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