Calculate ub matrix via Sxtal_Refgen

2022-04-07 19:02:45 +02:00
parent 421fc726dd
commit 21332b3edc
2 changed files with 44 additions and 0 deletions
--- a/pyzebra/app/panel_ccl_prepare.py
+++ b/pyzebra/app/panel_ccl_prepare.py
@ -82,7 +82,16 @@ def create():
    cryst_space_group = TextInput(title="space group", width=100)
    cryst_cell = TextInput(title="cell", width=500)

+    def ub_matrix_calc_callback():
+        params = dict()
+        params["SPGR"] = cryst_space_group.value
+        params["CELL"] = cryst_cell.value
+        ub = pyzebra.calc_ub_matrix(params)
+        ub_matrix.value = " ".join(ub)
+
    ub_matrix_calc = Button(label="UB matrix:", button_type="primary", width=100)
+    ub_matrix_calc.on_click(ub_matrix_calc_callback)
+
    ub_matrix = TextInput(title="\u200B", width=600)

    ranges_div = Div(text="Ranges:")