From a700fda050a79a5e9be78f20ac47f9a4fd155c17 Mon Sep 17 00:00:00 2001
From: Ask Hjorth Larsen <asklarsen@gmail.com>
Date: Wed, 11 Oct 2017 11:28:48 +0200
Subject: [PATCH] attempt to round displayed numbers
---
python-modules/molkrr/krr.py | 2 +-
python-modules/molkrr/ml_chemical_space.bkr | 12 ++++++------
2 files changed, 7 insertions(+), 7 deletions(-)
diff --git a/python-modules/molkrr/krr.py b/python-modules/molkrr/krr.py
index f4bf16a..5d14952 100644
--- a/python-modules/molkrr/krr.py
+++ b/python-modules/molkrr/krr.py
@@ -32,7 +32,7 @@ def timer(name):
tstart = time()
yield
tstop = time()
- print('Time {}: {}s'.format(name, tstop - tstart))
+ print('Time {}: {:1.3}s'.format(name, tstop - tstart))
def gen_random_index(nsystems, ntestsystems, seed=0):
diff --git a/python-modules/molkrr/ml_chemical_space.bkr b/python-modules/molkrr/ml_chemical_space.bkr
index 8c96bf0..1432ff4 100644
--- a/python-modules/molkrr/ml_chemical_space.bkr
+++ b/python-modules/molkrr/ml_chemical_space.bkr
@@ -637,23 +637,23 @@
" //def devi = variance / (ntestsys);",
" //y: [min_values.min(), max_values.max()], x: [min_values.min(), max_values.max()],",
" ref_pred_plot << new Line(y: [0,10], x: [0,10],",
- " displayName:\"Ideal (R=P).\",",
- " toolTip: {xs, ys -> \"MAE: \" + mae + \" eV\"});",
+ " displayName:\"Ideal (R=P).\",",
+ " toolTip: {xs, ys -> \"MAE: \" + mae.round(3) + \" eV\"});",
" ref_pred_plot << new Area(y: [min_values.min() + mae, max_values.max() + mae], ",
" x: [min_values.min(), max_values.max()], ",
" base: [min_values.min() - mae, max_values.max() - mae], ",
" color: new Color(255, 0, 0, 50), ",
- " displayName: \"MAE: \" + mae )",
+ " displayName: \"MAE: \" + mae.rount(3) )",
" ref_pred_plot << new Area(y: [min_values.min() + (mae +devi), max_values.max() + (mae+devi)], ",
" x: [min_values.min(), max_values.max()], ",
" base: [min_values.min() - (mae+devi), max_values.max() - (mae+devi)], ",
" color: new Color(255, 0, 0, 50), ",
- " displayName: \"Standard deviation: \" + devi)",
+ " displayName: \"Standard deviation: \" + devi.round(3))",
" ref_pred_plot << new Points(x:ref_values, y: prediction,",
" color: Color.blue,",
" displayName:out_put_label + \" values\",",
- " toolTip: {xs, ys, h -> \"real_value = \" + xs + ",
- " \", predicted_value = \" + ys + ",
+ " toolTip: {xs, ys, h -> \"real_value = \" + xs.round(3) + ",
+ " \", predicted_value = \" + ys.round(3) + ",
" \", molecule = \" + ",
" outfile_data[h][2]});",
"}",
--
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