DynaFit Scripting Manual

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Initialization files

DynaFit begins each computational task by reading the list of initialization parameters listed in the initialization file. The default location for the initialization file is the directory ./system/dynafit/ and the default initialization file name is settings.ini. A complete description of the initialization file is presented in Chapter 11.

Occasionally the user might wish to override certain settings of the master initialization file. This can be accomplished in two different ways, as is shown in the examples below. The first method of overriding the default initialization parameters uses a small external text file containing a subset of initialization parameters (Example 1). The requisite file name is listed in the section [settings] of the DynaFit script file.

Example 1

In this example, DynaFit first reads and processes the default initialization file ./system/dynafit/settings.ini. Subsequently it reads the smaller initialization file ./examples/pepsin/fit.ini, which overrides several of the initialization parameters.

[settings]
  file ./examples/pepsin/fit.ini
[end]

A different method of overriding the DynaFit initialization parameters relies on directly listing selected initialization parameters, described in Chapter 11, in the [settings] section of the script file.

Example 2

In this example, DynaFit first reads and processes the default initialization file ./system/dynafit/settings.ini. Subsequently it overrides three of the initialization parameters (Scale, Interrupt, and DependentVar) by processing the contents of the [settings] section of the script file.

[settings]
   <Filter>
      Scale = minutes
   <Marquardt>
      Interrupt = 100
   <Plot>
      DependentVar = conversion (%)
[end]

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Petr Kuzmic | Jul 12 2005