Scripts and modules in Python for working with data maps from simulations.

The tools are written for Python 3.3.

• Python >= 3.3
• matplotlib >= 1.2.0
• numpy >= 1.7.0
• pandas >= 0.10.1
• scipy >= 0.11.0

$ python setup.py install

The suite consists of Modules for handling data and Scripts for running them.

• draw - a decorator for creating figures
• datamaps - classes for handling and drawing data maps

• f_collect_spread - collect the spread of a droplet on a substrate
• f_spread_plot - averages and draws spread data with error
• f_flowmaps - draws flow fields of maps

• f_combine_maps - combines old type data maps to new type
• f_spread_delta_t - add time to old type spread maps

The data that these tools work on come from a specific output format from my Gromacs simulations of droplets on substrates.

Data from simulations is formatted into frames, each frame representing a data map collected at a certain time. Frames are spaced equidistant in time.

Maps are output from a system having it's domain decomposed into a two dimensional grid of cells. Cells are of equal size and contain information about their center position along the system axes, as well as accumulated mass, number of atoms, temperature and flow velocity (also along the axes).

Output is done column-by-column, a header denoting the written fields and their positions in each line.

Currently output is made in plaintext, plans exist to switch to a binary format for efficiency reasons.

The suite is licensed under the GNU General Public License v3. See LICENSE for details.