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Parse temperature variables from stdout.log #33

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92 changes: 56 additions & 36 deletions damask_parse/readers.py
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Original file line number Diff line number Diff line change
Expand Up @@ -32,37 +32,44 @@ def parse_increment_iteration(inc_iter_str):
float_pat = r'-?\d+\.\d+'
sci_float_pat = r'-?\d+\.\d+E[+|-]\d+'

dg_pat = r'deformation gradient aim\s+=\n(\s+(?:(?:' + float_pat + r'\s+){3}){3})'
dg_match = re.search(dg_pat, inc_iter_str)
dg_str = dg_match.group(1)
dg = np.array([float(i) for i in dg_str.split()]).reshape((3, 3))

pk_pat = r'Piola--Kirchhoff stress\s+\/\s.*=\n(\s+(?:(?:' + \
float_pat + r'\s+){3}){3})'
pk_match = re.search(pk_pat, inc_iter_str)
pk_str = pk_match.group(1)
pk = np.array([float(i) for i in pk_str.split()]).reshape((3, 3))

err_pat = r'error (.*)\s+=\s+(-?\d+\.\d+)\s\((' + sci_float_pat + \
r')\s(.*),\s+tol\s+=\s+(' + sci_float_pat + r')\)'
err_matches = re.findall(err_pat, inc_iter_str)
converge_err = {}
for i in err_matches:
err_key = 'error_' + i[0].strip().replace(' ', '_')
converge_err.update({
err_key: {
'value': float(i[2]),
'unit': i[3].strip(),
'tol': float(i[4]),
'relative': float(i[1]),
}
})
try:
dg_pat = r'deformation gradient aim\s+=\n(\s+(?:(?:' + float_pat + r'\s+){3}){3})'
dg_match = re.search(dg_pat, inc_iter_str)
dg_str = dg_match.group(1)
dg = np.array([float(i) for i in dg_str.split()]).reshape((3, 3))

pk_pat = r'Piola--Kirchhoff stress\s+\/\s.*=\n(\s+(?:(?:' + \
float_pat + r'\s+){3}){3})'
pk_match = re.search(pk_pat, inc_iter_str)
pk_str = pk_match.group(1)
pk = np.array([float(i) for i in pk_str.split()]).reshape((3, 3))

err_pat = r'error (.*)\s+=\s+(-?\d+\.\d+)\s\((' + sci_float_pat + \
r')\s(.*),\s+tol\s+=\s+(' + sci_float_pat + r')\)'
err_matches = re.findall(err_pat, inc_iter_str)
converge_err = {}
for i in err_matches:
err_key = 'error_' + i[0].strip().replace(' ', '_')
converge_err.update({
err_key: {
'value': float(i[2]),
'unit': i[3].strip(),
'tol': float(i[4]),
'relative': float(i[1]),
}
})

inc_iter = {
'deformation_gradient_aim': dg,
'piola_kirchhoff_stress': pk,
**converge_err,
}
inc_iter = {
'deformation_gradient_aim': dg,
'piola_kirchhoff_stress': pk,
**converge_err,
}
except AttributeError:
temp_pat = (r'thermal conduction converged\s\.+\n\n'
r'\sMinimum\|Maximum\|Delta Temperature \/ K = ((' + float_pat + r'\s*){3})')
temp_match = re.search(temp_pat, inc_iter_str)
temp = np.array([float(i) for i in temp_match.group(1).split()])
inc_iter = {'temperature': temp}

return inc_iter

Expand Down Expand Up @@ -103,6 +110,7 @@ def parse_increment(inc_str):
converge_errors = None
err_keys = None
num_iters = len(inc_iter_split) - 1
temp_arr = []

for idx, i in enumerate(inc_iter_split[:-1]):

Expand All @@ -115,12 +123,14 @@ def parse_increment(inc_str):
for _ in err_keys])
)

dg_arr.append(inc_iter_i['deformation_gradient_aim'])
pk_arr.append(inc_iter_i['piola_kirchhoff_stress'])

for j in err_keys:
for k in ['value', 'tol', 'relative']:
converge_errors[j][k].append(inc_iter_i[j][k])
try:
dg_arr.append(inc_iter_i['deformation_gradient_aim'])
pk_arr.append(inc_iter_i['piola_kirchhoff_stress'])
for j in err_keys:
for k in ['value', 'tol', 'relative']:
converge_errors[j][k].append(inc_iter_i[j][k])
except KeyError:
temp_arr.append(inc_iter_i['temperature'])

dg_arr = np.array(dg_arr)
pk_arr = np.array(pk_arr)
Expand All @@ -140,6 +150,9 @@ def parse_increment(inc_str):
**converge_errors,
}

if temp_arr:
parsed_inc['temperature'] = temp_arr

return parsed_inc


Expand Down Expand Up @@ -225,6 +238,7 @@ def read_spectral_stdout(path, encoding="utf8"):
err_keys = None
converge_errors = None
warnings = []
temp_arr = []

for idx, i in enumerate(inc_split):

Expand All @@ -240,6 +254,8 @@ def read_spectral_stdout(path, encoding="utf8"):
)
dg_arr.extend(parsed_inc.pop('deformation_gradient_aim'))
pk_arr.extend(parsed_inc.pop('piola_kirchhoff_stress'))
if "temperature" in parsed_inc:
temp_arr.extend(parsed_inc.pop('temperature'))
for j in err_keys:
for k in ['value', 'tol', 'relative']:
converge_errors[j][k].extend(parsed_inc[j][k])
Expand Down Expand Up @@ -269,6 +285,10 @@ def read_spectral_stdout(path, encoding="utf8"):
**inc_pos_dat
}

if temp_arr:
temp_arr = np.array(temp_arr)
out['temperature'] = temp_arr

return out


Expand Down