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Reading and Writing Analysis Data

The analysis facility provides the ability to read and write data structures which are generated within it. This allows one to save the data structures which take a long time to calculate (such as the averaging data structures) or to get coordinates which are produced in the facility. In addition, the properties of tables may be read and written, see section Table Input and Output.

The Analysis READ command

The analysis read command is used to read dynamical average data structures into CONGEN.

Syntax

                  {ICAV}
                  {AVX }
   READ [COMPARE] {AVV } UNIT unit-number
                  {PAX }
                  {PAV }

Function

The READ command is used for reading data structures from a file into the analysis facility. The only data structures which can be read are the averaging data structures which are produced using the ACCUM and COMBINE commands, see section Dynamics Analysis. ICAV is the Internal Coordinate AVerages. AVX is the Average X (coordinates). AVV is the AV Velocities. PAX is the Principal Axis X, and PAV is the Principal Axis Velocities. The COMPARE option specifies that the data structures are to be read in the comparison structures; if not specified, the main structures are used. The UNIT operand must be specified and gives the unit number where the data structure should be read.

The format of the files which are written is very simple. All data is in binary. The first few records are consistent with the format used in the rest of CONGEN -- a header, control array, and title array. What follows is the data structure with its own control information. For specific details, see the subroutines, READDT and WRITDT.

The Analysis WRITE Command

The analysis WRITE command is used to write averaging data structures as well as coordinates from the analysis facility. Coordinate writing is especially useful after a COMPARE command has been performed, see section Comparisons.

Syntax

                   {  ICAV }
                   {  AVX  }
                   {  AVV  }
   WRITE [COMPARE] {  PAX  } TITLE string del UNIT unit-number
                   {  PAV  }
                   {AVECOOR}
                   {  COOR }

Function

The WRITE command is used for writing data structures to files. The dynamics averages data structures may be specified as with the READ command. Also, one specify either the dynamical average coordinates which are produced from manipulating the average X (AVX) averaging data structures or one may specify the coordinates. For the main structure, the coordinates will be identical to those read in the main program, but with comparison coordinates, one gets coordinates which may have been translated and rotated to fit the main coordinates in the last COMPARE command.

The COMPARE option specifies that the comparison data structures should be used. If left out, the main structure is used. In reference to the data structure being written, the first five operands (ICAV, AVX, AVV, PAX, and PAV) are the same as in the READ command. AVECOOR specifies the average coordinates as collected in the average X data structures, specifically PAX. COOR is the coordinates. The TITLE operand specifies a title to be written on the file. The UNIT operand specifies what Fortran unit the file should be written to. Both TITLE and UNIT are obligatory; if not specified, no file will be written.

The title specified in this command undergoes some processing before it is put into the file. Since the CONGEN format for files requires a title of 80 character records, the title string is broken at spaces (if possible) to keep each line within 80 characters. Since the command processor in the analysis facility ignores the existence of records, one needs a special way to break a line at a point other than at 80 characters. One may specify three slashes, ///, to indicate a break. No spaces are inserted on either side of the three slashes when the title is constructed.

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