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yn00.py
# Copyright (C) 2011 by Brandon Invergo (b.invergo@gmail.com)
# This code is part of the Biopython distribution and governed by its
# license. Please see the LICENSE file that should have been included
# as part of this package.

import os.path
from _paml import Paml, PamlError
import _parse_yn00

#TODO - Restore use of with statement for closing handles automatically
#after dropping Python 2.4

00013 class Yn00Error(EnvironmentError):
    """yn00 has failed. Run with verbose = True to view yn00's error
message"""

00017 class Yn00(Paml):
    """This class implements an interface to yn00, part of the PAML package."""

00020     def __init__(self, alignment = None, working_dir = None,
                out_file = None):
        """Initialize the Yn00 instance. 
        
        The user may optionally pass in strings specifying the locations
        of the input alignment, the working directory and
        the final output file. 
        """
        Paml.__init__(self, alignment, working_dir, out_file)
        self.ctl_file = "yn00.ctl"
        self._options = {"verbose": None,
                        "icode": None,
                        "weighting": None,
                        "commonf3x4": None,
                        "ndata": None}

00036     def write_ctl_file(self):
        """Dynamically build a yn00 control file from the options.
        
        The control file is written to the location specified by the 
        ctl_file property of the yn00 class.
        """
        # Make sure all paths are relative to the working directory
        self._set_rel_paths()
        if True: #Dummy statement to preserve indentation for diff
            ctl_handle = open(self.ctl_file, 'w')
            ctl_handle.write("seqfile = %s\n" % self._rel_alignment)
            ctl_handle.write("outfile = %s\n" % self._rel_out_file)
            for option in self._options.items():
                if option[1] is None:
                    # If an option has a value of None, there's no need
                    # to write it in the control file; it's normally just
                    # commented out.
                    continue
                ctl_handle.write("%s = %s\n" % (option[0], option[1]))
            ctl_handle.close()

00057     def read_ctl_file(self, ctl_file):
        """Parse a control file and load the options into the yn00 instance.
        """
        temp_options = {}
        if not os.path.isfile(ctl_file):
            raise IOError("File not found: %r" % ctl_file)
        else:
            ctl_handle = open(ctl_file)
            for line in ctl_handle:
                line = line.strip()
                uncommented = line.split("*",1)[0]
                if uncommented != "":
                    if "=" not in uncommented:
                        ctl_handle.close()
                        raise AttributeError, \
                            "Malformed line in control file:\n%r" % line
                    (option, value) = uncommented.split("=")
                    option = option.strip()
                    value = value.strip()
                    if option == "seqfile":
                        self.alignment = value
                    elif option == "outfile":
                        self.out_file = value
                    elif option not in self._options:
                        ctl_handle.close()
                        raise KeyError, "Invalid option: %s" % option
                    else:
                        if "." in value or "e-" in value:
                            try:
                                converted_value = float(value)
                            except:
                                converted_value = value
                        else:
                            try:
                                converted_value = int(value)
                            except:
                                converted_value = value
                        temp_options[option] = converted_value
            ctl_handle.close()
        for option in self._options.keys():
            if option in temp_options.keys():
                self._options[option] = temp_options[option]
            else:
                self._options[option] = None
                
    def run(self, ctl_file = None, verbose = False, command = "yn00",
                parse = True):
        Paml.run(self, ctl_file, verbose, command)
        if parse:
            results = read(self.out_file)
        else:
            results = None
        return results

def read(results_file):
    """Parse a yn00 results file."""
    results = {}
    if not os.path.exists(results_file):
        raise IOError, "Results file does not exist."
    handle = open(results_file)
    lines = handle.readlines()
    handle.close()
    for line_num in range(len(lines)):
        line = lines[line_num]
        if "(A) Nei-Gojobori (1986) method" in line:
            ng86_start = line_num + 1 
        elif "(B) Yang & Nielsen (2000) method" in line:
            (results, sequences) = _parse_yn00.parse_ng86(lines[ng86_start:line_num], 
                    results)
            yn00_start = line_num + 1
        elif "(C) LWL85, LPB93 & LWLm methods" in line:
            results = _parse_yn00.parse_yn00(lines[yn00_start:line_num], results, 
                    sequences)
            results = _parse_yn00.parse_others(lines[line_num+1:], results, 
                    sequences)
    if len(results) == 0:
        raise ValueError, "Invalid results file."
    return results



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