#!/usr/bin/env python
# Mtzutils.py
#   Copyright (C) 2006 CCLRC, Graeme Winter
#
#   This code is distributed under the BSD license, a copy of which is
#   included in the root directory of this package.


#
# 8th November 2006
#
# A wrapper for the CCP4 program Mtzutils, specifically for trimming the
# resolution of an unmerged reflection file...
#

import os
import sys

if not os.environ.has_key('XIA2CORE_ROOT'):
  raise RuntimeError, 'XIA2CORE_ROOT not defined'

if not os.path.join(os.environ['XIA2CORE_ROOT'], 'Python') in sys.path:
  sys.path.append(os.path.join(os.environ['XIA2CORE_ROOT'],
                               'Python'))

from Driver.DriverFactory import DriverFactory
from Decorators.DecoratorFactory import DecoratorFactory

def Mtzutils(DriverType = None):
  '''A factory for MtzutilsWrapper classes.'''

  DriverInstance = DriverFactory.Driver(DriverType)
  CCP4DriverInstance = DecoratorFactory.Decorate(DriverInstance, 'ccp4')

  class MtzutilsWrapper(CCP4DriverInstance.__class__):
    '''A wrapper for Mtzutils, using the CCP4-ified Driver.'''

    def __init__(self):
      # generic things
      CCP4DriverInstance.__class__.__init__(self)

      self.set_executable(os.path.join(
          os.environ.get('CBIN', ''), 'mtzutils'))

      self._resolution_limit_high = 0.0
      self._resolution_limit_low = 100.0

      return

    def set_resolution(self, resolution):
      self._resolution_limit_high = resolution

      return

    def edit(self):
      '''Edit the input reflection file by removing the spare (over
      resolution) reflections.'''

      self.check_hklin()
      self.check_hklout()

      self.start()

      self.input('resolution %f %f' % \
                 (self._resolution_limit_high,
                  self._resolution_limit_low))

      self.close_wait()

      # check for generic errors

      try:
        self.check_for_errors()
        self.check_ccp4_errors()

      except RuntimeError, e:
        # something went wrong; remove the output file
        try:
          os.remove(self.get_hklout())
        except:
          pass
        raise e

      return self.get_ccp4_status()

  return MtzutilsWrapper()