コード例 #1
0
ファイル: corddcd.py プロジェクト: rkdarst/mp3
    def _parse_header(self):
        """Parses in the first header.

        Not for public use
        """
        log.debug('---In dcd.py, parse_header()')
        #process the first header block

        header1 = self._fo.read(92)
        header1_format=\
        "i---cccci---i---i---i---xxxxxxxxxxxxxxxxxxxxf---i---i---xxxxxxxxxxxxxxxxxxxxxxxxxxxxi---i---"
        # |1  |5   |10  |15  |20  |25  |30  |35  |40  |45  |50  |55  |60  |65  |70  |75  |80  |85  |90
        #|header size=84     |nframes*tstep          |tstep_size                             |charm_ver
        #    |CORD=has coordinates                       |block_a                                |header_size=84
        #        |nframes                                    |block_b
        #            |starting timestep
        #                |timestep between coord sets                                                  
        header1_format = string.replace(header1_format, "-", "")
        header1 = struct.unpack(header1_format, header1)
        header1_size1, c1, c2, c3, c4, self._nframes, self._firsttstep, self._dcdfreq, self._ntsteps, self._tstep_size, self._block_a, self._block_b, self._charm_v, header1_size2 = header1  #unpack the tuple header1
    
    
        self._dcdtype = "".join((c1,c2,c3,c4))   #get the data-type field. I it should always be cord...
        if header1_size1 != 84 or header1_size2 !=84:
            log.error("error-- header size fields not correct (should be 84)\n")
        if self._block_a != 0 or self._block_b != 0:
            log.info("I've found a signal possibly indicating an extra record block")
            log.info("    I'll try to parse it, but it might fail.  Also, I won't use")
            log.info("    any data from them.")
コード例 #2
0
ファイル: corddcd.py プロジェクト: rkdarst/mp3
 def _parse_unknown_block(self, mode=None):
     """This parses a block, doing nothing with it.
     """
     (length1, ) = struct.unpack("i", self._fo.read(4))
     data = self._fo.read(length1)
     (length2, ) = struct.unpack("i", self._fo.read(4))
     if length1 != length2:
         log.error("We tried to read the extra block, but it didn't work out quite right.")
     if mode:
         values = struct.unpack(mode, data)
         return values
コード例 #3
0
ファイル: corddcd.py プロジェクト: rkdarst/mp3
    def _parse_atoms(self):
        """Parses in the natoms record.

        Not for public use.
        """
        ##
        ##Parse the number of atoms
        ##
        #format: 3 ints, first one is blocksize (must equal 4), second is natoms, third is blocksize (must equal 4)
        log.debug("---in dcd.py, parse_atoms()")
        blocksize, self._natoms, blocksize2 = struct.unpack("iii", self._fo.read(12))
        if blocksize != 4 or blocksize2 != 4:
            log.error("blocksizes in the number of atoms record is broken\n")
コード例 #4
0
ファイル: corddcd.py プロジェクト: rkdarst/mp3
    def _parse_title(self):
        """Parses in the title.

        Not for public use.
        """
        log.debug('---In dcd.py, parse_title()')
        ##
        ##Parse the title field
        ##
        #title field format: int that specifies the block size = 80n + 4
        #                    int that specifies the number of 80-char title blocks = x
        #                    x * 80 char title blocks
        #                      ...
        #                    int that specifies the block size = 80n +4
        title = ""
        blocksize, n = struct.unpack("ii", self._fo.read(8))   #read in 8 bytes, convert to ints, store in blocksize, n
        if blocksize != 80*n+4:
            log.error("beginningblock size in title block is wrong\n")
        for i in range(0,n):
            title = title + self._fo.read(80)          # read the next title string onto the current one.
        if (blocksize, ) != struct.unpack("i", self._fo.read(4)):
            log.error("ending blocksize on the title block is not correct !\n")
        self._title = title