1# -*- coding: utf-8 -*- 

2# 

3# Copyright (c) 2017, the cclib development team 

4# 

5# This file is part of cclib (http://cclib.github.io) and is distributed under 

6# the terms of the BSD 3-Clause License. 

7 

8"""Abstract based class for cclib methods.""" 

9 

10import logging 

11import sys 

12 

13class MissingAttributeError(Exception): 

14 pass 

15 

16class Method: 

17 """Abstract base class for all cclib method classes. 

18 

19 Subclasses defined by cclib: 

20 CDA - charde decomposition analysis 

21 CSPA - C-squared population analysis 

22 Density - density matrix calculation 

23 FragmentAnalysis - fragment analysis for ADF output 

24 LPA - Löwdin population analysis 

25 MBO - Mayer's bond orders 

26 Moments - multipole moments calculations 

27 MPA - Mulliken population analysis 

28 Nuclear - properties of atomic nuclei 

29 OPA - overlap population analysis 

30 Population - base class for population analyses 

31 Volume - volume/grid calculations 

32 

33 All the modules containing methods should be importable. 

34 """ 

35 required_attrs = () 

36 def __init__(self, data, progress=None, loglevel=logging.INFO, logname="Log"): 

37 """Initialise the Logfile object. 

38 

39 This constructor is typically called by the constructor of a subclass. 

40 """ 

41 

42 self.data = data 

43 self.progress = progress 

44 self.loglevel = loglevel 

45 self.logname = logname 

46 self._check_required_attributes() 

47 self.logger = logging.getLogger('%s %s' % (self.logname, self.data)) 

48 self.logger.setLevel(self.loglevel) 

49 self.logformat = "[%(name)s %(levelname)s] %(message)s" 

50 handler = logging.StreamHandler(sys.stdout) 

51 handler.setFormatter(logging.Formatter(self.logformat)) 

52 self.logger.addHandler(handler) 

53 

54 def _check_required_attributes(self): 

55 """Check if required attributes are present in data.""" 

56 missing = [x for x in self.required_attrs 

57 if not hasattr(self.data, x)] 

58 if missing: 

59 missing = ' '.join(missing) 

60 raise MissingAttributeError( 

61 'Could not parse required attributes to use method: ' + missing)