Bug revision: dealing with empty contactlist file in maplot

ariaec/commands.py

+# coding=utf-8
 """
                             Input/Output aria_ec
 """
@@ -17,7 +18,10 @@ LOG = logging.getLogger(__name__)
 
 
 def check_file(prospective_file):
+    """
 
+    :param prospective_file:
+    """
     if not os.path.exists(prospective_file):
         raise argp.ArgumentTypeError("readable_file:'{0}' is not a valid "
                                      "path".format(prospective_file))
@@ -27,6 +31,9 @@ def check_file(prospective_file):
 
 
 class ReadableFile(argp.Action):
+    """
+    Class used with argparse action to check if a file is readable
+    """
 
     def __init__(self, *args, **kwargs):
         super(ReadableFile, self).__init__(*args, **kwargs)
@@ -42,7 +49,7 @@ class ReadableFile(argp.Action):
 
 # TODO: Make parent Command class with _create_argparser, self.args,
 # update_logger and run
-class AriaEcCommand:
+class AriaEcCommand(object):
     """
     Argparse interface for aria_ec
     """
@@ -84,7 +91,8 @@ class AriaEcCommand:
                                      formatter_class=argp.ArgumentDefaultsHelpFormatter)
         parser.add_argument("-o", "--output", dest="output_directory",
                             type=str, help="Output directory", required=True)
-        parser.add_argument("-c", "--conf", action=ReadableFile, dest="conf_file",
+        parser.add_argument("-c", "--conf", action=ReadableFile,
+                            dest="conf_file",
                             default=None, help="configuration file")
         parser.add_argument("--nolog", action="store_true",
                             default=False, help="Don't generate log files")
@@ -100,8 +108,9 @@ class AriaEcCommand:
         """
         for index, command in enumerate(self.command_list):
             # Create subparser defined in command list
-            subcommand = getattr(self, "_" + command + "_parser")(desc=self.desc_list[
-                index])
+            subcommand = getattr(self, "_" + command + "_parser")(
+                desc=self.desc_list[
+                    index])
             parser.add_parser(command, parents=[subcommand])
 
     def _setup_parser(self, desc=None):
@@ -202,6 +211,10 @@ class AriaEcCommand:
         return parser
 
     def create_settings(self):
+        """
+        create settings relative to args.command
+        :return:
+        """
         LOG.debug("Create AriaEcSettings")
         settings = AriaEcSettings(self.args.command)
         LOG.info("Loading default config file")
@@ -218,20 +231,30 @@ class AriaEcCommand:
         return settings
 
     def run(self):
-        # call method relative to args.command
+        """
+        call method relative to args.command
+        """
         LOG.info("Run %s command", self.args.command)
         getattr(self, self.args.command)()
 
     def setup(self):
+        """
+        Setup call
+        """
         setup_inst = AriaEcSetup(self.create_settings())
         setup_inst.run()
 
     def bbconv(self):
+        """
+        bbcontacts converter call
+        """
         bbconverter = AriaEcBbConverter(self.create_settings())
         bbconverter.run()
 
     def contactmap(self):
-        # instantiate AriaEcContactmap with AriaSettings
+        """
+        instantiate AriaEcContactmap with AriaSettings
+        """
         econtactmap = AriaEcContactMap(self.create_settings())
         econtactmap.run()
 

ariaec/ecsettings.py

+# coding=utf-8
 """
                                 Settings section
 """
 from __future__ import absolute_import, division, print_function
 
-import logging
 import os
-from configparser import SafeConfigParser
-import collections
+import logging
 import pickle
+import collections
 import pkg_resources as pkgr
+# noinspection PyCompatibility
+from ConfigParser import ConfigParser
 
 from .base import format_dict
 
 LOG = logging.getLogger(__name__)
 
 
-class Setting:
+class Setting(object):
+    """
+    Main setting object with args and config section
+    """
 
     def __init__(self):
         self.config = collections.defaultdict()
@@ -27,6 +32,9 @@ class Setting:
 
 
 class Settings(object):
+    """
+    Group settings with each section corresponding to a Setting object
+    """
 
     def __init__(self, sections):
         self._sections = set(sections)
@@ -46,7 +54,8 @@ class Settings(object):
         elif not pkg:
             LOG.error("Configuration file not found (%s)", configpath)
             return None
-        config = SafeConfigParser(allow_no_value=True)
+        # config = SafeConfigParser(allow_no_value=True)
+        config = ConfigParser(allow_no_value=True)
         if pkg:
             with pkgr.resource_stream(__name__, configpath) as conf:
                 config.readfp(conf)
@@ -64,9 +73,12 @@ class Settings(object):
                 LOG.warning("Unknow config section %s", section)
 
     def write_config(self, filename):
-        # Ecrit les config de toutes les sections dans un autre fichier
+        """
+        Write config of all sections into another file
+        :param filename:
+        """
         LOG.info("Writing .ini file (%s)", filename)
-        config = SafeConfigParser(allow_no_value=True)
+        config = ConfigParser(allow_no_value=True)
         iniout = open(filename, mode="w")
         for section in self._sections:
             config.add_section(section)
@@ -81,20 +93,26 @@ class Settings(object):
 
 
 class AriaEcSettings(Settings):
-
     # ss_dist = os.path.join(os.path.dirname(os.path.realpath(__file__)),
     #                        'conf/ss_dist.txt')
     # TODO: move these constant variable in objects which can read these file !!
     # TODO: Baseclass inspired from this class and ariabase class. All
     # objects in this package should extend the base object
+    """
+    Settings object for ariaec
+    """
     ARIAPROJ_TEMPLATE = 'templates/aria_project_v2.3.0.xml'
     SS_DIST = 'data/ss_dist.txt'
     SCSC_MIN = 'data/scsc_min.p'
     TOPO = 'data/topallhdg5.3.pro'
+    COMMANDS = ("main", "setup", "contactmap", "bbconv", "contactdef")
 
     def __init__(self, name):
-        super(AriaEcSettings, self).__init__(("main", "setup", "contactmap",
-                                              "bbconv", "contactdef"))
+        """
+        Initiate settings with name related to a command
+        :param name:
+        """
+        super(AriaEcSettings, self).__init__(self.COMMANDS)
         self._infra = {}
         self._scsc_min = None
         self._ssdist = None
@@ -109,6 +127,10 @@ class AriaEcSettings(Settings):
 
     @property
     def infra(self):
+        """
+        Infrastructure for a specific command
+        :return:
+        """
         if self.name == "setup" and not self._infra:
             self._infra = {"xml": "", "tbl": "", "others": ""}
             self._up_infra()
@@ -130,6 +152,11 @@ class AriaEcSettings(Settings):
 
     @property
     def ssdist(self):
+        """
+        Get distance file for secondary structures in the package or in config
+        file
+        :return:
+        """
         if not self._ssdist:
             if self.main.config["ss_dist_file"] and \
                     os.path.exists(self.main.config["ss_dist_file"]):
@@ -140,20 +167,28 @@ class AriaEcSettings(Settings):
 
     @property
     def template(self):
+        """
+        Get template files in config file or in the package
+        :return:
+        """
         if not self._template:
-            templatepath = "templates/aria_project_v%s.xml" % str(self.main.config["ariaproject_template"])
+            templatepath = "templates/aria_project_v%s.xml" % \
+                           str(self.main.config["ariaproject_template"])
             if os.path.exists(pkgr.resource_filename(__name__, templatepath)):
                 self._template = pkgr.resource_filename(__name__, templatepath)
             else:
                 LOG.error("Template version for aria project (%s) is not "
-                             "supported", self.main.config.get("ariaproject_template"))
+                          "supported", self.main.config.get("ariaproject_template"))
                 self._template = pkgr.resource_filename(__name__,
                                                         self.ARIAPROJ_TEMPLATE)
         return self._template
 
     @property
     def scsc_min(self):
-        # If scsc_min already computed
+        """
+        Get contact index for side chains in package or config file
+        :return:
+        """
         if not self._scsc_min:
             try:
                 # Read scsc_min_file given in aria_ec.ini
@@ -174,6 +209,9 @@ class AriaEcSettings(Settings):
             return self._scsc_min
 
     def make_infra(self):
+        """
+        Generate infrastructure
+        """
         LOG.info("Making output directories")
         for direct in self.infra:
             LOG.debug("Create %s directory", self.infra[direct])
@@ -181,4 +219,9 @@ class AriaEcSettings(Settings):
                 os.makedirs(os.path.abspath(self.infra[direct]))
 
     def load_config(self, configpath, **kwargs):
+        """
+
+        :param configpath:
+        :param kwargs:
+        """
         super(AriaEcSettings, self).load_config(configpath, **kwargs)

ariaec/maplot.py

+# coding=utf-8
 """
                             Input/Output aria_ec scripts
 """
@@ -15,6 +16,10 @@ LOG = logging.getLogger(__name__)
 
 
 class AriaEcContactMap(object):
+    """
+    Contact maplot class
+    """
+
     def __init__(self, settings):
         # TODO: check_type settings (AriaEcSettings)
         self.settings = settings
@@ -30,6 +35,9 @@ class AriaEcContactMap(object):
 
     def run(self):
         # Check input
+        """
+        Main method
+        """
         LOG.debug("Settings:\n" + json.dumps(self.settings.contactmap.config,
                                              indent=4))
         LOG.debug("Args:\n" + json.dumps(self.settings.contactmap.args,
@@ -128,7 +136,7 @@ class AriaEcContactMap(object):
             prefix = "_".join((mapname, self.refname)).replace(".", "_")
 
             if mapname == self.refname:
-                if not self.settings.contactmap.args.get("onlyreport", False):
+                if self.settings.contactmap.args.get("onlyreport", False) is not False:
                     refmap.write_contacts(mapname,
                                           outdir=outdir,
                                           scoremap=self.refmap.get("scoremap",

ariaec/reader.py

+# coding=utf-8
 """
                             Reader objects
 """
@@ -17,6 +18,10 @@ Atom = collections.namedtuple("Atom", ["name", "coords"])
 
 
 class RegexFile(object):
+    """
+    File which can be parsed with a regex
+    """
+
     def __init__(self, filepath, filetype='', regex='', sort=''):
         self.regex = regex
         self.sort = sort
@@ -52,6 +57,9 @@ class MapFile(RegexFile):
     # sort_field allow sorting lines with values into this field
     # TODO: wrong regex for native_full ?
     # TODO: smarter dict ...
+    """
+    Map file class
+    """
     types = {
         "plmdca": {
             "regex": re.compile(r"^(?P<res1_nb>\d+)\s+(?P<res1_name>\w)\s+"
@@ -180,6 +188,10 @@ class MapFile(RegexFile):
             "regex": re.compile(
                 r'^\s*(?P<res1_nb>\d+)\s+(?P<res2_nb>\d+)\s+'),
             "score_field": None
+        },
+        "empty": {
+            "regex": re.compile(r'^\s*$'),
+            "score_field": None
         }
     }
     check_type = True
@@ -231,7 +243,7 @@ class MapFile(RegexFile):
             if self.lines[line]['res1_name'] != aa_seq[int(self.lines[line]['res1_nb']) - 1] \
                     or self.lines[line]['res2_name'] != aa_seq[int(self.lines[line]['res2_nb']) - 1]:
                 LOG.error("Difference between given sequence and residu "
-                             "names in contact file at line %d !", line)
+                          "names in contact file at line %d !", line)
 
     def update_map(self, resmap):
         """
@@ -247,22 +259,28 @@ class MapFile(RegexFile):
 
         :return:
         """
-        LOG.info("Checking format for file %s", self.filepath)
+        LOG.info("Checking if file %s correspond to %s format", self.filepath,
+                 self.filetype)
         # Check if given type is supported
         # TODO: report this check into commands section
+        defaults = ("default_1", "default_2", "default_3", "default_4", "empty")
+        if os.stat(self.filepath).st_size == 0:
+            LOG.warning("File %s is empty !", self.filepath)
+            return [
+                self.types["empty"].get("regex"),
+                self.filetype,
+                self.types["empty"].get("score_field")
+            ]
         with open(self.filepath) as infile:
             # Check first and second line of file
             for index, line in enumerate(infile):
                 if self.filetype in self.types:
+                    LOG.info("Given format (%s) should be supported",
+                             self.filetype)
                     match = self.types[self.filetype].get("regex").match(line)
                 else:
                     match = None
                     LOG.error("Format %s not supported !", self.filetype)
-                # TODO: DRY rule !!
-                def1match = self.types["default_1"]["regex"].match(line)
-                def2match = self.types["default_2"]["regex"].match(line)
-                def3match = self.types["default_3"]["regex"].match(line)
-                def4match = self.types["default_4"]["regex"].match(line)
                 if match:
                     LOG.debug("Format type correct")
                     return [
@@ -270,37 +288,20 @@ class MapFile(RegexFile):
                         self.filetype,
                         self.types[self.filetype].get("score_field")
                     ]
-                elif def1match:
-                    LOG.debug("Format type correct")
-                    return [
-                        self.types["default_1"].get("regex"),
-                        self.filetype,
-                        self.types["default_1"].get("score_field")
-                    ]
-                elif def2match:
-                    LOG.debug("Format type correct")
-                    return [
-                        self.types["default_2"].get("regex"),
-                        self.filetype,
-                        self.types["default_2"].get("score_field")
-                    ]
-                elif def3match:
-                    LOG.debug("Format type correct")
-                    return [
-                        self.types["default_3"].get("regex"),
-                        self.filetype,
-                        self.types["default_3"].get("score_field")
-                    ]
-                elif def4match:
-                    LOG.debug("Format type correct")
-                    return [
-                        self.types["default_4"].get("regex"),
-                        self.filetype,
-                        self.types["default_4"].get("score_field")
-                    ]
+                else:
+                    LOG.warning("Given type do not correspond, checking default"
+                                " format for contactlist or empty file...")
+                    for subformat in defaults:
+                        if self.types.get(subformat)["regex"].match(line):
+                            LOG.debug("Format type correct %s", subformat)
+                            return [
+                                self.types[subformat].get("regex"),
+                                self.filetype,
+                                self.types[subformat].get("score_field")
+                            ]
                 if index > 2:
+                    # Stop checking after second line
                     LOG.error("Error reading %s file.", self.filetype)
-                    # Remove contact file
                     break
         LOG.error("Wrong format type given ...")
         return [None] * 3
@@ -368,12 +369,16 @@ class MapFile(RegexFile):
                     self.lines[contact].get("res2_nb")]
                 if len(self.contactlist) != len(self.clashlist):
                     LOG.error("When reading input file, clash list is not "
-                                 "the same length than contactlist")
+                              "the same length than contactlist")
                 LOG.debug(self.clashlist)
 
 
 class ContactMapFile(MapFile):
     # "plmdca", "evfold", "bbcontacts", "pconsc", "gremlin", "metapsicov",
+    """
+    Contact map file
+    """
+
     def __init__(self, filepath, filetype):
         """
 
@@ -384,6 +389,11 @@ class ContactMapFile(MapFile):
         super(self.__class__, self).__init__(filepath, filetype)
 
     def update_map(self, resmap):
+        """
+
+        :param resmap:
+        :return:
+        """
         # TODO: swap dataframe factory here
         raise NotImplementedError
 
@@ -432,7 +442,7 @@ class ContactMapFile(MapFile):
             if (int(residx1.split("-")[0]) != resid1) or \
                     (resid2 != int(residx2.split("-")[0])):
                 LOG.error("Wrong resid humanidx (%d, %d) in contact (%d) is "
-                             "not the same in resmap (%d, %d)",
+                          "not the same in resmap (%d, %d)",
                           resid1, resid2, contact_id,
                           int(residx1.split("-")[0]),
                           int(residx2.split("-")[0]))
@@ -454,6 +464,9 @@ class ContactMapFile(MapFile):
 
 
 class PDBFile(MapFile):
+    """
+    PDB file
+    """
     pdbreg = re.compile(r'^(?P<record>ATOM  |HETATM)(?P<serial>[\s\w]{5})'
                         r'\s(?P<name>[\s\w]{4})'
                         r'(?P<altLoc>[\s\w])'
@@ -475,9 +488,20 @@ class PDBFile(MapFile):
 
     def create_map(self, protein, contactdef, groupby_method="min", scsc=None,
                    flaglist=None, sym=True, path=""):
+        """
+
+        :param protein:
+        :param contactdef:
+        :param groupby_method:
+        :param scsc:
+        :param flaglist:
+        :param sym:
+        :param path:
+        """
         resmap = ResAtmMap(protein.aa_sequence.sequence, mtype='distance',
                            flaglist=flaglist, path=path,
                            seqidx=protein.index, desc=self.filetype)
+        # noinspection PyTypeChecker
         resmap[:] = self.update_map(resmap, sym=sym)
         LOG.debug("pdb distance map:\n%s", resmap)
         self.mapdict["alldistmap"] = resmap
@@ -487,6 +511,12 @@ class PDBFile(MapFile):
         self.mapdict["contactmap"] = self.mapdict["allcontactmap"].reduce()
 
     def update_map(self, resmap, sym=True):
+        """
+
+        :param resmap:
+        :param sym:
+        :return:
+        """
         # Map only on heavy atoms
         # TODO: check if same sequence in pdb file
         LOG.info("Updating distance map with pdb file")
@@ -537,35 +567,63 @@ class PDBFile(MapFile):
                 if sym:
                     newmap.loc[:][idx] = None
             LOG.error("Can't update pdb distance map for pos in pdb file "
-                         "%s with %s", list(error_list), missidx)
+                      "%s with %s", list(error_list), missidx)
         return newmap
 
 
 class DistanceMapFile(MapFile):
+    """
+    Distance matrix file
+    """
     def __init__(self, filepath, filetype):
         super(MapFile).__init__(filepath, filetype)
         raise NotImplementedError
 
     def create_map(self, aa_seq, contactdef, **kwargs):
+        """
+
+        :param aa_seq:
+        :param contactdef:
+        :param kwargs:
+        :return:
+        """
         pass
 
     # Native dist
     def update_map(self, resmap):
+        """
+
+        :param resmap:
+        :return:
+        """
         pass
         # Construit map avec la liste de residus +  infos de distance du fichier
         # return DistanceMap
 
 
-class ProtFileListReader:
+class ProtFileListReader(object):
+    """
+    List of file object
+    """
     def __init__(self, cont_def=5.0):
         self.filelist = []
         self.contactdef = cont_def
 
     def clear(self):
+        """
+        Initiatise from scratch object
+        :return:
+        """
         # TODO: Init supprime bien les fichiers du cache ?
         self.__init__(self.contactdef)
 
     def add_file(self, filepathlist, filetypelist=None):
+        """
+
+        :param filepathlist:
+        :param filetypelist:
+        :return:
+        """
         filepathlist = [filepathlist] if type(
             filepathlist) != list else filepathlist
         filetypelist = [filetypelist] if type(
@@ -594,6 +652,15 @@ class ProtFileListReader:
 
     def read(self, filepathlist, filetypelist=None, protein=None, scsc=None,
              **kwargs):
+        """
+
+        :param filepathlist:
+        :param filetypelist:
+        :param protein:
+        :param scsc:
+        :param kwargs:
+        :return:
+        """
         self.clear()
         self.add_file(filepathlist, filetypelist=filetypelist)
         for fo in self.filelist:

ariaec/setup.py

+# coding=utf-8
 """
                             Input/Output aria_ec scripts
 """
 from __future__ import absolute_import, division, print_function
 
-import logging
-import json
 import os
+import json
+import logging
 
 from .protein import Protein
 from .reader import ProtFileListReader
@@ -14,15 +15,17 @@ from .protmap import MapFilter
 from .econverter import AriaEcXMLConverter
 
 # TODO: S'inspirer de pandas/__init__.py pour les dependances
-# from basictools import *
 
 LOG = logging.getLogger(__name__)
 
 
-class AriaEcSetup:
+class AriaEcSetup(object):
+    """
+    Aria Ec Setup protocol
+    """
+
     def __init__(self, settings):
         """
-
         :param settings:
         :return:
         """
@@ -40,7 +43,7 @@ class AriaEcSetup:
 
     def run(self):