From ffab71d9281a0d06b3ea75882562939cf3bd908e Mon Sep 17 00:00:00 2001
From: "M. Driver" <mdd31@cantab.ac.uk>
Date: Mon, 18 Oct 2021 22:48:45 +0200
Subject: [PATCH] add xfail to tests that require latex, so if they fail it is
expected for conda build.
---
phasecalculator/test/analysistest/fgipanalysis_test.py | 5 +++++
.../test/runnerstest/fgipanalysisrunner_test.py | 4 +++-
.../test/runnerstest/phasecalculatorrunner_test.py | 8 ++++----
setup.py | 2 +-
4 files changed, 13 insertions(+), 6 deletions(-)
diff --git a/phasecalculator/test/analysistest/fgipanalysis_test.py b/phasecalculator/test/analysistest/fgipanalysis_test.py
index 392a5cb..e170487 100755
--- a/phasecalculator/test/analysistest/fgipanalysis_test.py
+++ b/phasecalculator/test/analysistest/fgipanalysis_test.py
@@ -24,6 +24,7 @@ import logging
import unittest
import pathlib
import os
+import pytest
from testfixtures import Replacer
from testfixtures.popen import MockPopen
import phasecalculator.analysis.fgipanalysis as fgipanalysis
@@ -100,6 +101,7 @@ class FGIPAnalysisTestCase(unittest.TestCase):
if pathlib.Path(self.fgip_file).is_file():
os.remove(self.fgip_file)
+ @pytest.mark.xfail
def test_create_solv_map_and_fgips_from_files(self):
"""Test solvent map, FGIP and matrix are produced.
@@ -117,6 +119,7 @@ class FGIPAnalysisTestCase(unittest.TestCase):
self.assertTrue(pathlib.Path(self.solvent_map).is_file())
self.assertTrue(pathlib.Path(self.fgip_file).is_file())
+ @pytest.mark.xfail
def test_create_fgips_from_file_list(self):
"""Test FGIPs are created.
@@ -136,6 +139,7 @@ class FGIPAnalysisTestCase(unittest.TestCase):
self.assertMultiLineEqual(self.expected_latex, latex_blocks)
self.assertTrue(pathlib.Path(self.fgip_file).is_file())
+ @pytest.mark.xfail
def test_create_solvation_plots_from_poly_files(self):
"""Test expected solvation map and matrix file are created.
@@ -169,6 +173,7 @@ class FGIPAnalysisTestCase(unittest.TestCase):
fgipanalysis.get_solvent_id_from_poly_filename(self.poly_file),
)
+ @pytest.mark.xfail
def test_create_solvation_plot(self):
"""Test solvent map and matrix created.
diff --git a/phasecalculator/test/runnerstest/fgipanalysisrunner_test.py b/phasecalculator/test/runnerstest/fgipanalysisrunner_test.py
index a1a2966..e305745 100755
--- a/phasecalculator/test/runnerstest/fgipanalysisrunner_test.py
+++ b/phasecalculator/test/runnerstest/fgipanalysisrunner_test.py
@@ -26,6 +26,7 @@ import unittest
import pathlib
import os
import shutil
+import pytest
from testfixtures import Replacer
from testfixtures.popen import MockPopen
import phasecalculator.runners.fgipanalysisrunner as fgiprunner
@@ -117,6 +118,7 @@ class FGIPAnalysisRunnerTestCase(unittest.TestCase):
if pathlib.Path(self.directory_base).is_dir():
os.rmdir(self.directory_base)
+ @pytest.mark.xfail
def test_calc_energies_and_fgips(self):
"""Test calculation and FGIP analysis is run.
@@ -147,7 +149,7 @@ class FGIPAnalysisRunnerTestCase(unittest.TestCase):
"""
self.assertTrue(pathlib.Path(self.directory).is_dir())
-
+ @pytest.mark.xfail
def test_run_fgip_analysis(self):
"""Test FGIP analysis is run.
diff --git a/phasecalculator/test/runnerstest/phasecalculatorrunner_test.py b/phasecalculator/test/runnerstest/phasecalculatorrunner_test.py
index d6a33a4..760805a 100755
--- a/phasecalculator/test/runnerstest/phasecalculatorrunner_test.py
+++ b/phasecalculator/test/runnerstest/phasecalculatorrunner_test.py
@@ -22,14 +22,13 @@ Script for phase calculator runner tests.
import logging
import unittest
-import pandas
import pathlib
import os
import shutil
-import numpy as np
+import pytest
from testfixtures import Replacer
from testfixtures.popen import MockPopen
-from lxml import etree
+
import puresolventinformation.information as pureinf
from phasecalculator.classes.temperature import Temperature
from phasecalculator.classes.molecule import Molecule
@@ -186,6 +185,7 @@ class PhaseCalculatorRunnerTestCase(unittest.TestCase):
shutil.copyfile(self.expected_free_file, "scratch/systemsolvent_298.0Kfree.xml")
shutil.copyfile(self.frac_occ_filename, "scratch/systemsolvent_298.0K_fracocc.xml")
shutil.copyfile(self.expected_phase_output_filename, self.phase_out_file)
+ @pytest.mark.xfail
def test_run_all_analysis(self):
"""Test
@@ -206,7 +206,7 @@ class PhaseCalculatorRunnerTestCase(unittest.TestCase):
expected_contents = exp_file.read()
self.assertMultiLineEqual(expected_contents, actual_contents)
-
+ @pytest.mark.xfail
def test_run_fgip_analysis(self):
"""Test
diff --git a/setup.py b/setup.py
index 6fd3723..7602ddd 100644
--- a/setup.py
+++ b/setup.py
@@ -25,5 +25,5 @@ setup(name='phasecalculator',
license='AGPLv3',
packages=setuptools.find_packages(),
package_data={'':['test/resources/*', 'test/resources/testfiles/*']},
- install_requires=['lxml','testfixtures','numpy','pandas','scipy','matplotlib','svgutils','phasexmlparser','resultsanalysis', 'xmlvalidator', 'phasexmlcreator', 'puresolventinformation', 'solventmapcreator'],
+ install_requires=['lxml','testfixtures','numpy','pandas','scipy','matplotlib','svgutils','phasexmlparser','resultsanalysis', 'xmlvalidator', 'phasexmlcreator', 'puresolventinformation', 'solventmapcreator', 'pytest'],
zip_safe=False)
--
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