simon tweaks to tools example

doc/source/examples/toolsexample.rst

@@ -5,69 +5,171 @@
 Tools Example
 #############
 
-This example will demonstrate how diffpy.utils allows us to conveniently load and manage user and package information.
+The tools module contains various tools that may be useful when you manipulate and analyze diffraction data.
+
+Automatically Capture User Info
+===============================
+
+One task we would like to do is to capture and propagate useful metadata that describes the diffraction data.
+Some is essential such as wavelength and radiation type. Other metadata is useful such as information about the
+sample, co-workers and so on.  However, one of the most important bits of information is the name of the data owner.
+For example, in ``DiffractionObjects`` this is stored in the ``metadata`` dictionary as ``username``, ``user_email``,
+and ``user_orcid``.
+
+To reduce experimenter overhead when collecting this information, we have developed an infrastructure that helps
+to capture this information automatically when you are using `DiffractionObjects` and other diffpy tools.
+You may also reuse this infrastructure for your own projects using tools in this tutorial.
+
+This example will demonstrate how ``diffpy.utils`` allows us to conveniently load and manage user and package information.
 Using the tools module, we can efficiently get them in terms of a dictionary.
 
-1) We have the function ``get_user_info`` that neatly returns a dictionary containing the username and email.
-   You can use this function without arguments. ::
+Load user info into your program
+--------------------------------
+
+To use this functionality in your own code make use of the ``get_user_info`` function in
+``diffpy.utils.tools`` which will search for information about the user, parse it, and return
+it in a dictionary object e.g. if the user is "Jane Doe" with email "janedoe@gmail.com" and the
+function can find the information, if you type this
+
+.. code-block:: python
 
     from diffpy.utils.tools import get_user_info
     user_info = get_user_info()
 
-   This function will first attempt to load the information from configuration files looking first in
-   the current working directory and then in the user's home directory.
-   If no configuration files exist, it prompts for user input and creates a configuration file in the home directory
-   so that the next time the program is run it will no longer have to prompt the user.
-   It can be passed user information which overrides looking in config files, and so could be passed
-   information that is entered through a gui or command line interface to override default information at runtime.
-   It prioritizes prompted user inputs, then current working directory config file, and finally home directory config file.
+The function will return
+
+.. code-block:: python
+
+        {"email": "janedoe@email.com", "username": "Jane Doe"}
+
+
+Where does ``get_user_info()`` get the user information from?
+-------------------------------------------------------------
+
+The function will first attempt to load the information from configuration files with the name ``diffpyconfig.json``
+on your hard-drive.
+It looks first for the file in the current working directory.  If it cannot find it there it will look
+user's home, i.e., login, directory.  To find this directory, open a terminal and a unix or mac system type ::
+
+    cd ~
+    pwd
+
+Or type ``Echo $HOME``.  On a Windows computer ::
+
+    echo %USERPROFILE%"
+
+What if no config files exist yet?
+-----------------------------------
+
+If no configuration files can be found, the function attempts to create one in the user's home
+directory.  The function will pause execution and ask for a user-response to enter the information.
+It will then write the config file in the user's home directory.
+
+In this way, the next, and subsequent times the program is run, it will no longer have to prompt the user
+as it will successfully find the new config file.
+
+Getting user data with no config files and with no interruption of execution
+----------------------------------------------------------------------------
+
+If you would like get run ``get_user_data()`` but without execution interruption even if it cannot find
+an input file, type
+
+.. code-block:: python
+
+    user_data = get_user_data(skip_config_creation=True)
+
+Passing user information directly to ``get_user_data()``
+--------------------------------------------------------
 
-   The function returns a dictionary containing the username and email information.
+It can be passed user information which fully or partially overrides looking in config files
+For example, in this way it would be possible to pass in information
+that is entered through a gui or command line interface. E.g.,
 
-2) There are a few ways you could use to override the user information in the configuration files
-    * You can override existing values by passing a dictionary to the function with the keys ``"username"`` and ``"email"`` ::
+    .. code-block:: python
 
-        new_args = {"username": "new_username", "email": "new@example.com"}
-        new_user_info = get_user_info(new_args)
+        new_user_info = get_user_info({"username": "new_username", "email": "new@example.com"})
 
-       This returns "new_username" and "new@example.com" instead of the
-    * You can update only the username or email individually, for example ::
+This returns ``{"username": "new_username", "email": "new@example.com"}`` (and so, effectively, does nothing)
+However, You can update only the username or email individually, for example
 
-        new_username = {"username": new_username}
-        new_user_info = get_user_info(new_username)
+.. code-block:: python
 
-       This updates username to "new_username" while fetching the email from inputs or the configuration files.
-       Similarly, you can update only the email. ::
+        new_user_info = get_user_info({"username": new_username})
 
-        new_email = {"email": new@email.com}
-        new_user_info = get_user_info(new_email)
+will return ``{"username": "new_username", "email": "janedoe@gmail.com"}``
+if it found ``janedoe@gmail.com`` as the email in the config file.
+Similarly, you can update only the email in the returned dictionary,
 
-       This updates the email to "new@email.com" while fetching the username from inputs or the configuration files.
+.. code-block:: python
 
-3) You can also permanently update your default configuration file manually.
-   Locate the file ``diffpyconfig.json``, which is usually in the user's home directory (``~/.diffpy/``) or ``~/.config/diffpy/``.
-   Open the file using a text editor such as nano, vim, or a graphical editor like VS Code.
-   Look for entries like these  ::
+        new_user_info = get_user_info({"email": new@email.com})
+
+which will return ``{"username": "Jane Doe", "email": "new@email.com"}``
+if it found ``Jane Doe`` as the user in the config file.
+
+I entered the wrong information in my config file so it always loads incorrect information
+------------------------------------------------------------------------------------------
+
+You can use of the above methods to temporarily override the incorrect information in your
+global config file. However, it is easy to fix this simply by editing that file using a text
+editor.
+
+Locate the file ``diffpyconfig.json``, in your home directory and open it in an editor ::
 
     {
         "username": "John Doe",
         "email": "john.doe@example.com"
     }
 
-   Then you can update the username and email as needed, make sure to save your edits.
+   Then you can edit the username and email as needed, make sure to save your edits.
+
+Automatically Capture Info about a Software Package Being Used
+==============================================================
+
+We also have a handy tool for capturing information about a python package that is being used
+to save in the metadata.  To use this functionality, use he function ``get_package_info``, which
+inserts or updates software package names and versions in a given metadata dictionary under
+the key "package_info", e.g.,
 
-4) We also have the function ``get_package_info``, which inserts or updates package names and versions
-   in the given metadata dictionary under the key "package_info".
-   It stores the package information as {"package_info": {"package_name": "version_number"}}.
-   This function can be used as follows. ::
+.. code-block:: python
+
+    {"package_info": {"diffpy.utils": "0.3.0", "my_package": "0.3.1"}}
+
+If the installed version of the package "my_package" is 0.3.1.
+
+This function can be used in your code as follows
+
+.. code-block:: python
 
     from diffpy.utils.tools import get_package_info
     package_metadata = get_package_info("my_package")
 
-   You can also specify an existing dictionary to be updated with the information. ::
+or
+
+.. code-block:: python
+
+    package_metadata = get_package_info(["first_package", "second_package"])
+
+which returns (for example)
+
+.. code-block:: python
+
+    {"package_info": {"diffpy.utils": "0.3.0", "first_package": "1.0.1", "second_package": "0.0.7"}}
+
+
+You can also specify an existing dictionary to be updated with the information.
+
+.. code-block:: python
 
     existing_dict = {"key": "value"}
     updated_dict = get_package_info("my_package", metadata=existing_dict))
 
-   note that `"diffpy.utils"` is automatically included in the package info since the `get_user_info` function is
-   part of diffpy.utils.
+Which returns
+
+.. code-block:: python
+
+    {"key": "value", "package_info": {"diffpy.utils": "0.3.0", "my_package": "0.3.1"}}
+
+
+Note that ``"diffpy.utils"`` is automatically included in the package info since the ``get_user_info`` function is
+part of ``diffpy.utils``.

src/diffpy/utils/tools.py

@@ -118,8 +118,8 @@ def get_user_info(args=None):
         print(
             "No global configuration file was found containing "
             "information about the user to associate with the data.\n"
-            "By following the prompts below you can add your name and email to this file on the current"
-            " computer and your name will be automatically associated with subsequent diffpy data by default.\n"
+            "By following the prompts below you can add your name and email to this file on the current "
+            "computer and your name will be automatically associated with subsequent diffpy data by default.\n"
             "This is not recommended on a shared or public computer. "
             "You will only have to do that once.\n"
             "For more information, please refer to www.diffpy.org/diffpy.utils/examples/toolsexample.html"