[Chemical System] Dialog

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This provides pages concerning Data Sources and Treatment on Chemical System.

1) Data Source page

  1. Data Source
  2. Project File
      When the CHD option to save the calcultion conditions into *.chd files is checked, then this page appears. Furthermore, the option of "Multi files are used to store calculation conditions"is checked, management of chd files are carried out here. When this option is not checked, the choice is just about to save the current conditions to the current file or not.
    1. Save to File
        This is for the procedure to end the chd project by saving the specified conditions. The following case is for case No.2 in the above table: Only ChdMain file is used.



      1. Selection concerning File to be saved between
        To Current File : "OK" buttons leads to the saving procedure of current status to the file.
        To New File : The File Name Selected should be edited before clicking "OK" button. Clicking one of the files listed in the chd files listed below makes copy of the file name on the focused line to the edit field of the File Name Selected. And then, editing can be continued to finilize the file name editing.
      2. Current status of CHD project file
          Number :
          File Name :
          Comment :
      3. Editing File Name
        File name as well as Comment can be edited before clicking OK button.

        The following is the case where the multi files are used to save the calculation conditions.


        The file name should be the same as the main data source file except for ".chd". When the multi files are allowed, the extension should be used as a series of ".ch0", ".ch1", ".ch2" etc.

    2. Selection to read data from File
      This page appears only when the following procedure is adopted:
      command File > Open File
      Fisrt, the Open file dialog appears to select *.mcd file. After selection the data source, the following Selection page willappear. When this selected mcd file has no chd file or one chd main file, no selection will be made.

      In other procedures of opening the data source and associated chd project file such as
      command File > Reopen command File > Open Default File
      no selection will be made and the most recent version of chd file, namely current chd file, will be active. This is based on an idea that the next session should be continued with the status of the last session.



      Message to promote to click on the line which should be open in the list of chd project files :
        Number : the CHDMain file stored the information of other chd project files which are managed to have the same file name except for extension. This also contains the information which file is the currently active file. File name Selected : The line correspoding to the current file is focused.
        Comment :
      Filename to be open shows the current option. Initially, the current file stored in the CHD Main file is shows. When click will be made on the list, the file name will be changed.

2) Selection of Compound page

  1. Selection by Default : This is as-a-whole way by checking the categorized groups of species/compounds.
    Default Compounds are sum of the following groups:
  2. Selection by User
    When this is clicked, the Select Compound Table will appear to promote to select compounds by yourself.
  3. Specification of activities of involved species
      When Specify Activity of Gaseous Species or Aqueous Species will be checked, Specify Activity of Aqueous Species will appear and selection should be made on

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