old_contents: #################################################
  ############ Dump file settings #################
  #################################################
  
  # Stress files to be averaged
  AVERAGE_FILES = ['data/70_220_stress.data', 'data/70_225_stress.data',
      'data/70_230_stress.data', 'data/70_235_stress.data', 'data/70_240_stress.data']
  
  # Path to dumpfiles.
  DUMP_PATH = ['dump/', ]
  
  # Dump file name.
  DUMP_NAME = '7nm_500atm.out'
  
  # Number of lines for each timestep.
  NLINES = 655330
  #################################################
  ############## Bubble settings ##################
  #################################################
  
  # Bubble center coordinates.
  CENTER = (96.290, 91.916, 102.461)
  
  # Maximum bubble radius, unit - angstrom.
  MAX_RADIUS = 90
  
  # dr - difference of two consequent raidus - used for ratio/pressure stats
  DR = 0.2
  # A larger dr used for density stats.
  DENSITY_DR = 5
  # A larger dr used for shell pressure.
  SHELL_PRESSURE_DR = 5
  
  # XYZ boundaries.
  BOUNDARY_X = (-1.24, 191.34)
  BOUNDARY_Y = (-1.25, 191.30)
  BOUNDARY_Z = (-1.26, 191.34)
  
  
  #################################################
  ################# Atom settings #################
  #################################################
  
  # Atom elements to corresponding types.
  ELEMENTS = {
      1: 'Ne',
      2: 'O',
      3: 'H',
  }
  
  # TODO: Average mole weight for each group of elements.
  
  
  #################################################
  ############## Calculation settings #############
  #################################################
  
  # Perform bubble atom ratio stats on following element species.
  BUBBLE_ATOM_RATIO_STATS_ELEMENTS = [['Ne'], ]
  
  # TODO: shell pressure stats.
  SHELL_ATOM_RATIO_STATS_ELEMENTS = []
  
  # Perform bubble pressure stats on following element species.
  # In / out bubble pressure are output for each group of atoms.
  BUBBLE_PRESSURE_STATS_ELEMENTS = [['Ne'], ['H', 'O'], ['Ne', 'H', 'O'], ]
  
  # Perform shell pressure stats on following element species.
  SHELL_PRESSURE_STATS_ELEMENTS = [['Ne'], ['H', 'O'], ['Ne', 'H', 'O'], ]
  
  # TODO: bubble density stats.
  BUBBLE_DENSITY_STATS_ELEMENTS = []
  
  # Perform shell density stats on following element species.
  SHELL_DENSITY_STATS_ELEMENTS = [['Ne'], ['H', 'O'], ]
  
  # Perform xyz density stats on following element species.
  XYZ_DENSITY_STATS_ELEMENTS = [['Ne'], ['H', 'O'], ]
  
  #################################################
  ############### Debug settings ##################
  #################################################
  
  # Keep DEBUG value to False when using.
  DEBUG = True
  
  # File name of container for test run output file names.
  NAMES_CONTAINER = 'names.txt'
  
  # Test ratio / pressure results.
  NE_RATIO_FILE = 'dump/test_ratio_ne.out'
  NE_PRESSURE_FILE = 'dump/test_pressure_ne.out'
  HO_PRESSURE_FILE = 'dump/test_pressure_ho.out'
  NE_SHELL_PRESSURE_FILE = 'dump/test_shell_pressure_ne.out'
  HO_SHELL_PRESSURE_FILE = 'dump/test_shell_pressure_ho.out'
  
new_contents: #################################################
  ############ Dump file settings #################
  #################################################
  
  # Stress files to be averaged
  AVERAGE_FILES = ['data/70_220_stress.data', 'data/70_225_stress.data',
      'data/70_230_stress.data', 'data/70_235_stress.data', 'data/70_240_stress.data']
  
  # Path to dumpfiles.
  DUMP_PATH = ['dump/', ]
  
  # Dump file name.
  DUMP_NAME = 'test_stress.out'
  
  # Number of lines for each timestep.
  NLINES = 14
  #################################################
  ############## Bubble settings ##################
  #################################################
  
  # Bubble center coordinates.
  CENTER = (0, 0, 0)
  
  # Maximum bubble radius, unit - angstrom.
  MAX_RADIUS = 8
  
  # dr - difference of two consequent raidus - used for ratio/pressure stats
  DR = 0.5
  # A larger dr used for density stats.
  DENSITY_DR = 5
  # A larger dr used for shell pressure.
  SHELL_PRESSURE_DR = 5
  
  # XYZ boundaries.
  BOUNDARY_X = (-1.24, 191.34)
  BOUNDARY_Y = (-1.25, 191.30)
  BOUNDARY_Z = (-1.26, 191.34)
  
  
  #################################################
  ################# Atom settings #################
  #################################################
  
  # Atom elements to corresponding types.
  ELEMENTS = {
      1: 'Ne',
      2: 'O',
      3: 'H',
  }
  
  # TODO: Average mole weight for each group of elements.
  
  
  #################################################
  ############## Calculation settings #############
  #################################################
  
  # Perform bubble atom ratio stats on following element species.
  BUBBLE_ATOM_RATIO_STATS_ELEMENTS = [['Ne'], ]
  
  # TODO: shell pressure stats.
  SHELL_ATOM_RATIO_STATS_ELEMENTS = []
  
  # Perform bubble pressure stats on following element species.
  # In / out bubble pressure are output for each group of atoms.
  BUBBLE_PRESSURE_STATS_ELEMENTS = [['Ne'], ['H', 'O'], ['Ne', 'H', 'O'], ]
  
  # Perform shell pressure stats on following element species.
  SHELL_PRESSURE_STATS_ELEMENTS = [['Ne'], ['H', 'O'], ['Ne', 'H', 'O'], ]
  
  # TODO: bubble density stats.
  BUBBLE_DENSITY_STATS_ELEMENTS = []
  
  # Perform shell density stats on following element species.
  SHELL_DENSITY_STATS_ELEMENTS = [['Ne'], ['H', 'O'], ]
  
  # Perform xyz density stats on following element species.
  XYZ_DENSITY_STATS_ELEMENTS = [['Ne'], ['H', 'O'], ]
  
  #################################################
  ############### Debug settings ##################
  #################################################
  
  # Keep DEBUG value to False when using.
  DEBUG = True
  
  # File name of container for test run output file names.
  NAMES_CONTAINER = 'names.txt'
  
  # Test ratio / pressure results.
  NE_RATIO_FILE = 'dump/test_ratio_ne.out'
  NE_PRESSURE_FILE = 'dump/test_pressure_ne.out'
  HO_PRESSURE_FILE = 'dump/test_pressure_ho.out'
  NE_SHELL_PRESSURE_FILE = 'dump/test_shell_pressure_ne.out'
  HO_SHELL_PRESSURE_FILE = 'dump/test_shell_pressure_ho.out'
  
subject: Update test settings with test info