Commit 81554856 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Ensure that DEDFB type index for groups of spheres is larger than the index of... 

Ensure that DEDFB type index for groups of spheres is larger than the index of the first sphere in the group
parent a9938791

src/scripts/model_maker.py

+13 −6
Original line number Original line Diff line number Diff line
@@ -523,15 +523,22 @@ def write_legacy_sconf(conf): 
    else:

    else:

        str_line = "{0:.3E}  {1:.3E}\n".format(conf['xi_start'], conf['xi_step'])

        str_line = "{0:.3E}  {1:.3E}\n".format(conf['xi_start'], conf['xi_step'])

        output.write(str_line)

        output.write(str_line)

    sphere_count = 0

    sphere_line_count = 0

    placed_spheres = 0

    last_type = 0

    dedfb_type = 0

    for si in range(nsph):

    for si in range(nsph):

        str_line = "{0:5d}".format(conf['vec_types'][si])

        if (conf['vec_types'][si] > last_type):

            dedfb_type = placed_spheres + 1

            last_type = conf['vec_types'][si]

        str_line = "{0:5d}".format(dedfb_type)

        output.write(str_line)

        output.write(str_line)

        sphere_count += 1

        sphere_line_count += 1

        if (sphere_count == 16):

        placed_spheres += 1

        if (sphere_line_count == 16):

            output.write("\n")

            output.write("\n")

            sphere_count = 0

            sphere_line_count = 0

    if (sphere_count != 0):

    if (sphere_line_count != 0):

        output.write("\n")

        output.write("\n")

    for ci in range(conf['configurations']):

    for ci in range(conf['configurations']):

        layers = conf['nshl'][ci]

        layers = conf['nshl'][ci]