fix: errors in sample name + drop python 3.4 + change version 2.0.3

.travis.yml

@@ -2,7 +2,6 @@ language: python
 sudo: required
 dist: xenial
 python:
-- '3.4'
 - '3.5'
 - '3.6'
 - '3.7'

isocor/ui/isoCorCli.py

@@ -133,7 +133,11 @@ def process(args):
     df = pd.DataFrame()
     for label in labels:
         metabo = dictMetabolites[label]
-        for serie in baseenv.getDataSerie(label):
+        series, series_err = baseenv.getDataSerie(label)
+        for s_err in series_err:
+            errors['measurements'] = errors['measurements'] + ["{} - {}".format(s_err, label)]
+            logger.error("{} - {}: Measurement vector is incomplete, some isotopologues are not provided.".format(s_err, label))
+        for serie in series:
             if metabo:
                 try:
                     valuesCorrected = metabo.correct(serie[1])

isocor/ui/isoCorGUI.py

@@ -240,7 +240,11 @@ def process(self):
         df = pd.DataFrame()
         for label in labels:
             metabo = dictMetabolites[label]
-            for serie in self.baseenv.getDataSerie(label):
+            series, series_err = self.baseenv.getDataSerie(label)
+            for s_err in series_err:
+                errors['measurements'] = errors['measurements'] + ["{} - {}".format(s_err, label)]
+                self.logger.error("{} - {}: Measurement vector is incomplete, some isotopologues are not provided.".format(s_err, label))
+            for serie in series:
                 if metabo:
                     try:
                          valuesCorrected = metabo.correct(serie[1])

isocor/ui/isocordb.py

@@ -174,4 +174,11 @@ def returnLabelStr(self, tupleNames):
             return tupleNames[0]
 
     def getDataSerie(self, tupleNames):
-        return [[i[2], [j.area.values[k] for k in j.isotopologue.values]] for i, j in self._groupbyDatafile if i[:2] == tupleNames]
+        l, l_err = [], []
+        for i, j in self._groupbyDatafile:
+            if i[:2] == tupleNames:
+                try:
+                    l.append([i[2], [j.area.values[k] for k in j.isotopologue.values]])
+                except:
+                    l_err.append(i[2])
+        return l, l_err

setup.py

@@ -7,20 +7,19 @@
 
 setuptools.setup(
     name="IsoCor",
-    version="2.0.2",
+    version="2.0.3",
     author="Pierre Millard, Baudoin Delépine, Matthieu Guionnet",
     author_email="millard@insa-toulouse.fr",
     description="IsoCor: Isotope Correction for mass spectrometry labeling experiments",
     long_description=long_description,
     long_description_content_type="text/markdown",
     url="https://github.com/MetaSys-LISBP/IsoCor/",
     packages=setuptools.find_packages(),
-    python_requires='>=3.4',
+    python_requires='>=3.5',
     install_requires=['pandas>=0.17.1', 'scipy>=0.12.1'],
     package_data={'': ['data/*.dat', ], },
     include_package_data=True,
     classifiers=[
-        "Programming Language :: Python :: 3.4",
         "Programming Language :: Python :: 3.5",
         "Programming Language :: Python :: 3.6",
         "Programming Language :: Python :: 3.7",