From 73e70b597c18a986254b8de62905483512d8b5db Mon Sep 17 00:00:00 2001
From: "Joachim Wuttke (o)" <j.wuttke@fz-juelich.de>
Date: Fri, 22 Sep 2023 09:10:47 +0200
Subject: [PATCH] Convert SpecularPar1 example to addFitPair - waiting for
correct handling of alpha coordinate
---
rawEx/fit/specular/Specular1Par.py | 17 +++++++----------
1 file changed, 7 insertions(+), 10 deletions(-)
diff --git a/rawEx/fit/specular/Specular1Par.py b/rawEx/fit/specular/Specular1Par.py
index eba7d085bed..27ebf6eb8cc 100755
--- a/rawEx/fit/specular/Specular1Par.py
+++ b/rawEx/fit/specular/Specular1Par.py
@@ -13,14 +13,11 @@ from bornagain import angstrom, ba_fitmonitor
def load_data():
datadir = os.getenv('BA_DATA_DIR', '')
- data_fname = os.path.join(datadir, "specular/genx_alternating_layers.dat.gz")
+ fname = os.path.join(datadir, "specular/genx_alternating_layers.dat.gz")
- expdata = np.loadtxt(data_fname, usecols=(0, 1), skiprows=3)
-
- # convert double incident angle (degs) to incident angle (radians)
- expdata[:, 0] *= np.pi/360
-
- return (expdata[:, 0], expdata[:, 1])
+ raise Exception("TODO: treat data as angle(deg)")
+ flags = ba.ImportSettings1D("#", "", 1, 2)
+ return ba.readData1D(fname, ba.csv1D, flags)
def get_sample(P):
@@ -45,7 +42,7 @@ def get_sample(P):
def get_simulation(P):
- scan = ba.AlphaScan(ba.ListScan("alpha (rad)", exp_x))
+ scan = ba.AlphaScan(expData.xAxis())
scan.setWavelength(1.54*angstrom)
sample = get_sample(P)
@@ -53,13 +50,13 @@ def get_simulation(P):
if __name__ == '__main__':
- exp_x, exp_y = load_data()
+ expData = load_data()
P = ba.Parameters()
P.add("thickness_Ti", 50*angstrom, min=10*angstrom, max=60*angstrom)
fit_objective = ba.FitObjective()
- fit_objective.addSimulationAndData(get_simulation, exp_y, 1)
+ fit_objective.addFitPair(get_simulation, expData, 1)
fit_objective.initPrint(10)
plot_observer = ba_fitmonitor.PlotterSpecular(pause=0.5)
--
GitLab