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Fix spind output update issues

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Fix #27
This commit is contained in:
usov_i 2021-05-06 18:22:56 +02:00
parent 7a88e5e254
commit 880d86d750
1 changed files with 13 additions and 7 deletions
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20
pyzebra/app/panel_spind.py
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@ -3,7 +3,6 @@ import math
import os import os
import subprocess import subprocess
import tempfile import tempfile
from collections import defaultdict
import numpy as np import numpy as np
from bokeh.layouts import column, row from bokeh.layouts import column, row
@ -38,6 +37,9 @@ def create():
ub_matrices = [] ub_matrices = []
def process_button_callback(): def process_button_callback():
# drop table selection to clear result fields
results_table_source.selected.indices = []
nonlocal diff_vec nonlocal diff_vec
with tempfile.TemporaryDirectory() as temp_dir: with tempfile.TemporaryDirectory() as temp_dir:
temp_peak_list_dir = os.path.join(temp_dir, "peak_list") temp_peak_list_dir = os.path.join(temp_dir, "peak_list")
@ -102,9 +104,11 @@ def create():
print(comp_proc.stdout) print(comp_proc.stdout)
spind_out_file = os.path.join(temp_dir, "spind.txt") spind_out_file = os.path.join(temp_dir, "spind.txt")
spind_res = dict(
label=[], crystal_id=[], match_rate=[], matched_peaks=[], column_5=[], ub_matrix=[],
)
try: try:
with open(spind_out_file) as f_out: with open(spind_out_file) as f_out:
spind_res = defaultdict(list)
for line in f_out: for line in f_out:
c1, c2, c3, c4, c5, *c_rest = line.split() c1, c2, c3, c4, c5, *c_rest = line.split()
spind_res["label"].append(c1) spind_res["label"].append(c1)
@ -120,8 +124,6 @@ def create():
ub_matrices.append(ub_matrix) ub_matrices.append(ub_matrix)
spind_res["ub_matrix"].append(str(ub_matrix_spind * 1e-10)) spind_res["ub_matrix"].append(str(ub_matrix_spind * 1e-10))
results_table_source.data.update(spind_res)
print(f"Content of {spind_out_file}:") print(f"Content of {spind_out_file}:")
with open(spind_out_file) as f: with open(spind_out_file) as f:
print(f.read()) print(f.read())
@ -129,6 +131,8 @@ def create():
except FileNotFoundError: except FileNotFoundError:
print("No results from spind") print("No results from spind")
results_table_source.data.update(spind_res)
process_button = Button(label="Process", button_type="primary") process_button = Button(label="Process", button_type="primary")
process_button.on_click(process_button_callback) process_button.on_click(process_button_callback)
@ -145,10 +149,12 @@ def create():
ub_matrix_textareainput.value = str(ub_matrix * 1e10) ub_matrix_textareainput.value = str(ub_matrix * 1e10)
hkl_textareainput.value = res hkl_textareainput.value = res
else: else:
ub_matrix_textareainput.value = None ub_matrix_textareainput.value = ""
hkl_textareainput.value = None hkl_textareainput.value = ""
results_table_source = ColumnDataSource(dict()) results_table_source = ColumnDataSource(
dict(label=[], crystal_id=[], match_rate=[], matched_peaks=[], column_5=[], ub_matrix=[])
)
results_table = DataTable( results_table = DataTable(
source=results_table_source, source=results_table_source,
columns=[ columns=[