Example #1
0
    def __init__(self,
                 SECTION_PARAMETERS=None,
                 ADD_LAST=None,
                 COMMON_ITERATION_LEVELS=None,
                 FILENAME=None,
                 LOG_PRINT_KEY=None,
                 errorLog=[],
                 changeLog=[],
                 location=""):

        self.__errorLog = errorLog
        self.__changeLog = changeLog
        self.__SECTION_PARAMETERS = _validate_SECTION_PARAMETERS(
            SECTION_PARAMETERS, errorLog=self.__errorLog)
        self.__ADD_LAST = _validate_ADD_LAST(ADD_LAST,
                                             errorLog=self.__errorLog)
        self.__COMMON_ITERATION_LEVELS = _validate_COMMON_ITERATION_LEVELS(
            COMMON_ITERATION_LEVELS, errorLog=self.__errorLog)
        self.__FILENAME = _validate_FILENAME(FILENAME,
                                             errorLog=self.__errorLog)
        self.__LOG_PRINT_KEY = _validate_LOG_PRINT_KEY(
            LOG_PRINT_KEY, errorLog=self.__errorLog)

        self.__location = "{}/PROGRAM_RUN_INFO".format(location)

        #PROGRAM_RUN_INFO subsections
        self.__EACH = EACH.EACH(errorLog=self.__errorLog,
                                changeLog=self.__changeLog,
                                location=self.__location)
Example #2
0
    def __init__(self,
                 SECTION_PARAMETERS=None,
                 ADD_LAST=None,
                 COMMON_ITERATION_LEVELS=None,
                 FILENAME=None,
                 FORMAT=None,
                 LOG_PRINT_KEY=None,
                 UNIT=None,
                 errorLog=[],
                 changeLog=[],
                 location=""):

        self.__errorLog = errorLog
        self.__changeLog = changeLog
        self.__SECTION_PARAMETERS = _validate_SECTION_PARAMETERS(
            SECTION_PARAMETERS, errorLog=self.__errorLog)
        self.__ADD_LAST = _validate_ADD_LAST(ADD_LAST,
                                             errorLog=self.__errorLog)
        self.__COMMON_ITERATION_LEVELS = _validate_COMMON_ITERATION_LEVELS(
            COMMON_ITERATION_LEVELS, errorLog=self.__errorLog)
        self.__FILENAME = _validate_FILENAME(FILENAME,
                                             errorLog=self.__errorLog)
        self.__LOG_PRINT_KEY = _validate_LOG_PRINT_KEY(
            LOG_PRINT_KEY, errorLog=self.__errorLog)
        self.__UNIT = _validate_UNIT(UNIT, errorLog=self.__errorLog)
        self.__FORMAT = _validate_FORMAT(FORMAT, errorLog=self.__errorLog)

        self.__location = "{}/VELOCITIES".format(location)

        #FORCES subsections
        self.__EACH = EACH.EACH(errorLog=self.__errorLog,
                                changeLog=self.__changeLog,
                                location=self.__location)
Example #3
0
    def __init__(self,
                 SECTION_PARAMETERS=None,
                 ADD_LAST=None,
                 BACKUP_COPIES=None,
                 COMMON_ITERATION_LEVELS=None,
                 FILENAME=None,
                 LOG_PRINT_KEY=None,
                 SPLIT_RESTART_FILE=None,
                 errorLog=[],
                 changeLog=[],
                 location=""):

        self.__errorLog = errorLog
        self.__changeLog = changeLog
        self.__SECTION_PARAMETERS = _validate_SECTION_PARAMETERS(
            SECTION_PARAMETERS, errorLog=self.__errorLog)
        self.__ADD_LAST = _validate_ADD_LAST(ADD_LAST,
                                             errorLog=self.__errorLog)
        self.__BACKUP_COPIES = _validate_BACKUP_COPIES(
            BACKUP_COPIES, errorLog=self.__errorLog)
        self.__COMMON_ITERATION_LEVELS = _validate_COMMON_ITERATION_LEVELS(
            COMMON_ITERATION_LEVELS, errorLog=self.__errorLog)
        self.__FILENAME = _validate_FILENAME(FILENAME,
                                             errorLog=self.__errorLog)
        self.__LOG_PRINT_KEY = _validate_LOG_PRINT_KEY(
            LOG_PRINT_KEY, errorLog=self.__errorLog)
        self.__SPLIT_RESTART_FILE = _validate_SPLIT_RESTART_FILE(
            SPLIT_RESTART_FILE, errorLog=self.__errorLog)

        self.__location = "{}/FORCES".format(location)

        #FORCES subsections
        self.__EACH = EACH.EACH(errorLog=self.__errorLog,
                                changeLog=self.__changeLog,
                                location=self.__location)
Example #4
0
    def __init__(self,
                 SECTION_PARAMETERS=None,
                 ADD_LAST=None,
                 COMMON_ITERATION_LEVELS=None,
                 FILENAME=None,
                 FORMAT=None,
                 LOG_PRINT_KEY=None,
                 UNIT=None,
                 CHARGE_BETA=None,
                 CHARGE_EXTENDED=None,
                 CHARGE_OCCUP=None,
                 errorLog=[],
                 changeLog=[],
                 location=""):

        self.__errorLog = errorLog
        self.__changeLog = changeLog
        self.__SECTION_PARAMETERS = _validate_SECTION_PARAMETERS(
            SECTION_PARAMETERS, errorLog=self.__errorLog)
        self.__ADD_LAST = _validate_ADD_LAST(ADD_LAST,
                                             errorLog=self.__errorLog)
        self.__COMMON_ITERATION_LEVELS = _validate_COMMON_ITERATION_LEVELS(
            COMMON_ITERATION_LEVELS, errorLog=self.__errorLog)
        self.__FILENAME = _validate_FILENAME(FILENAME,
                                             errorLog=self.__errorLog)
        self.__LOG_PRINT_KEY = _validate_LOG_PRINT_KEY(
            LOG_PRINT_KEY, errorLog=self.__errorLog)
        self.__UNIT = _validate_UNIT(UNIT, errorLog=self.__errorLog)
        self.__FORMAT = _validate_FORMAT(FORMAT, errorLog=self.__errorLog)
        self.__CHARGE_BETA = _validate_CHARGE_BETA(CHARGE_BETA,
                                                   errorLog=self.__errorLog)
        self.__CHARGE_EXTENDED = _validate_CHARGE_EXTENDED(
            CHARGE_EXTENDED, errorLog=self.__errorLog)
        self.__CHARGE_OCCUP = _validate_CHARGE_OCCUP(CHARGE_OCCUP,
                                                     errorLog=self.__errorLog)

        self.__location = "{}/TRAJECTORY".format(location)

        #each subsections
        self.__EACH = EACH.EACH(errorLog=self.__errorLog,
                                changeLog=self.__changeLog,
                                location=self.__location)