============
LVE Tutorial
============

.. contents:: Contents
    :local:

.. toctree::
   :maxdepth: 2

.. |logo| image:: /app_logo/LVE.png
    :width: 20pt
    :height: 20pt
    :align: bottom

.. |einstein| image:: /gui_icons/icons8-einstein.png
    :width: 20pt
    :height: 20pt
    :align: bottom

.. |calculate| image:: /gui_icons/icons8-abacus.png
    :width: 20pt
    :height: 20pt
    :align: bottom

.. |fit| image:: /gui_icons/icons8-minimum-value.png
    :width: 20pt
    :height: 20pt
    :align: bottom

.. |th_save| image:: /gui_icons/icons8-save_TH.png
    :width: 20pt
    :height: 20pt
    :align: bottom

.. |theory| image:: images/theory_LML.png
    :height: 20pt
    :align: bottom

.. |theory_bob| image:: images/bob_theory.png
    :height: 20pt
    :align: bottom

.. |dummy| image:: images/add_dummy.png
    :height: 30pt
    :align: bottom

-----------------------
Likhtman-McLeish theory
-----------------------

#.  Start RepTate and create a new LVE Application |logo|:
    
    .. image:: images/open_LVE_app.png
        :width: 75%
        :align: center
        :alt: New application

#.  Drag and drop a file(s) with a ``.tts`` extension, e.g. the set of ``PI_**k_T-35.tts`` files in the ``data/PI_LINEAR/`` 
    folder, with molecular weight from "13.5k" to "1131k".
    See :ref:`LVE_Data_Description` for a description of the data file organization.
   
    .. image:: images/open_files.png
        :width: 75%
        :align: center
        :alt: Load data

#.  Select a theory, e.g. "Likthman-McLeish" |theory|, and press |einstein| to create it (calculation is done with default parameter values).
    Press "Minimize Error" |fit|.
    
    .. image:: images/new_theory.png
        :width: 75%
        :align: center
        :alt: New theory

#.  To save the theory line(s), click the |th_save| button.

-------------------
BOB LVE predictions
-------------------

BOB LVE uses a "polyconf" file, which contains information on the polymer architectures. 
The "polyconf" files must carry a ``.dat``. They can be generated by theories in the React application in RepTate 
or by BOB software (Chinmay Das and Daniel Read) outside RepTate (`<https://sourceforge.net/projects/bob-rheology/files/bob-rheology/>`_).

#.  Start RepTate and create a new LVE Application |logo|:
    
    .. image:: images/open_LVE_app.png
        :width: 75%
        :align: center
        :alt: New application

#.  Drag and drop a file with a ``.tts`` extension (see :ref:`LVE_Data_Description`) OR add a dummy file if you do not 
    have data corresponding to the "polyconf" file by clicking |dummy|, which brings the following dialog.

    .. image:: images/dummy_dialog.png
        :width: 60%
        :align: center
        :alt: new files

    .. note::
        The xrange of BOB predictions will correspond exactly to the xrange of the (dummy) file.

#.  Select BOB theory, |theory_bob|, and press |einstein| to create it. Then press "Calculate" |calculate|. The following dialog 
    appears, where, from top to bottom, we can select:

    - the "polyconf" file (with a ``.dat`` extension)
    - the maximum number of polymers
    - the maximum total number of arms (segments attached to a branch point)
    - ``alpha``: the tube dilatation exponent
    - ``M0``: the molar mass of a monomer
    - ``Ne``: the number of monomers in an entanglement segment
    - the mass density of the polymer
    - the entanglement relaxation time
    - the temperature

    .. image:: images/BOB_dialog.png
        :width: 40%
        :align: center
        :alt: BOB_dialog

    .. hint:: 
        Click the "Help" button to show the original documentation of BOB v2.3 by Chinmay Das.

#.  Click "OK" to launch the calculations of the linear rheology. In the theory text-box, you will find informations
    related to BOB simulation parameters and to the topology of the polymers found in the "polyconf" file.