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me@261
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1 import sys |
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2 import os |
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3 import os.path |
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4 from tempfile import NamedTemporaryFile |
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5 import urllib2 |
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6 |
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7 import config |
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8 from graph import Graph |
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9 from Bio.PDB.DSSP import make_dssp_dict |
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10 from fasta import save_fasta |
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11 import data.codes |
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12 |
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13 class MonomerType(object): |
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14 """Class of monomer types. |
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15 |
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16 Each MonomerType object represents a known monomer type, e.g. Valine, |
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17 and is referenced to by each instance of monomer in a given sequence. |
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18 |
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19 - `name`: full name of monomer type |
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20 - `code1`: one-letter code |
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21 - `code3`: three-letter code |
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22 - `is_modified`: either of True or False |
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23 |
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24 class atributes: |
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25 |
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26 - `by_code1`: a mapping from one-letter code to MonomerType object |
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27 - `by_code3`: a mapping from three-letter code to MonomerType object |
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28 - `by_name`: a mapping from monomer name to MonomerType object |
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29 - `instance_type`: class of Monomer objects to use when creating new |
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30 objects; this must be redefined in descendent classes |
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31 |
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32 All of the class attributes MUST be redefined when subclassing. |
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33 """ |
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34 |
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35 by_code1 = {} |
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36 by_code3 = {} |
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37 by_name = {} |
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38 instance_type = None |
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39 |
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40 def __init__(self, name="", code1="", code3="", is_modified=False): |
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41 self.name = name.capitalize() |
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42 self.code1 = code1.upper() |
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43 self.code3 = code3.upper() |
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44 self.is_modified = bool(is_modified) |
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45 if not is_modified: |
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46 self.by_code1[self.code1] = self |
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47 self.by_code3[code3] = self |
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48 self.by_name[name] = self |
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49 # We duplicate distinguished long names into MonomerType itself, |
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50 # so that we can use MonomerType.from_code3 to create the relevant |
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51 # type of monomer. |
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52 MonomerType.by_code3[code3] = self |
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53 MonomerType.by_name[name] = self |
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54 |
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55 @classmethod |
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56 def _initialize(cls, type_letter, codes=data.codes.codes): |
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57 """Create all relevant instances of MonomerType. |
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58 |
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59 `type_letter` is either of: |
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60 |
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61 - 'p' for protein |
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62 - 'd' for DNA |
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63 - 'r' for RNA |
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64 |
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65 `codes` is a table of monomer codes |
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66 """ |
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67 for type, code1, is_modified, code3, name in codes: |
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68 if type == type_letter: |
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69 cls(name, code1, code3, is_modified) |
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70 |
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71 @classmethod |
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72 def from_code1(cls, code1): |
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73 """Return monomer type by one-letter code.""" |
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74 return cls.by_code1[code1.upper()] |
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75 |
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76 @classmethod |
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77 def from_code3(cls, code3): |
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78 """Return monomer type by three-letter code.""" |
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79 return cls.by_code3[code3.upper()] |
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80 |
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81 @classmethod |
