Added python script used for the hdf5 file conversion.

#!/bin/bash/python3

# Partially converts in place an hdf5 file part of the test suite, or generated from main_dca, to

# the new hdf5 interface, so that it can be used for testing, or for the BSE solver. The changes are:

# - Vectors of vectors and DCA functions are stored as a single dataset.

# - Strings are human readable in hdfview.

# - Complex numbers are stored as such

#

# Usage: python convert_hdf5_old_to_new.py <file>

#

# Author: Giovanni Balduzzi (gbalduzz@itp.phys.ethz.ch)

import h5py

import numpy as np

from sys import argv

import copy

import os

import shutil

assert(len(argv) == 2)

filename = argv[1]

print("Converting file ", filename)

inp = h5py.File(filename, 'r')

outname = filename + ".hdf5tmp"

out = h5py.File(outname, 'w')

def isOldFunc(node : h5py.Group) :

    return ("name" in node) and ("domain-sizes" in node) and ("data" in node)

def isNewFunc(node : h5py.Dataset) :

    return "domain-sizes" in node.attrs

def isOldVecOfVec(node : h5py.Group) :

    return ("equal-size" in node) and ("size" in node) and ("data" in node)

def toString(set) :

    str = ""

    try :

        str = "".join([chr(a) for a in set[()]])

        return str

    except : return set

def iterator(name, node):

    path, dname = ["/", name]

    try : path, dname = name.rsplit("/", 1)

    except: pass

    if path == "" : path = "/"

    if isinstance(node, h5py.Dataset):  # node is a dataset

        if isNewFunc(node) :

            data = node[...]

            if len(node.attrs["domain-sizes"]) == len(node.shape) - 1 : # is complex

                data = node[..., 0] + 1j * node[..., 1]

            out.create_dataset(name, data = data)

            for key in node.attrs : out[name].attrs[key] = node.attrs[key]

        elif dname == "type" and path.find("four-point") >= 0 :

            out[path].create_dataset("channels", data = [toString(node).encode()])

        elif dname == "cluster_greens_function_G_k_w" and len(node.shape) == 2 :

            data = node[0, :] + 1j * node[1, :]

            out.create_dataset(name, data = data)

        else:

            inp.copy(node, out[path], name = dname)

    else:  # node is a group

        if dname == "channels" :

            values = []

            for a in inp[name]["data"] :

                val = (''.join(chr(i) for i in a)).encode()

                values.append(val)

            out.create_dataset(name, data = values)

            return

        elif isOldFunc(node) :

            data = node["data"][...]

            if len(node["domain-sizes"][:]) ==  len(node["data"].shape) - 1 : # is complex

                data = node["data"][..., 0] + 1j * node["data"][..., 1]

            out.create_dataset(name, data = data)

            out[name].attrs["name"] = toString(inp[name]["name"])

            out[name].attrs["domain-sizes"] = inp[name]["domain-sizes"]

            return

        elif isOldVecOfVec(node) :

            if node["equal-size"][0] : data = [line for line in node["data"][:]]

            else : data = [node["data"][key][:] for key in node["data"]]

            out.create_dataset(name, data = data)

        else :

            if name != "" : out.create_group(name)

            for key in node : iterator(name + "/" + key, node[key])

iterator("", inp)

inp.close()

out.close()

shutil.move(outname, filename)