Пример #1
0
    print usage_mesg
    sys.exit(1)

filename_txt = sys.argv[2]
if not os.access(filename_txt, os.R_OK):
    print "%s is not accessible." % filename_txt
    print usage_mesg
    sys.exit(1)

# If the right number of inputs are provided then run the analysis for both data sets
if(len(sys.argv) == 3 ):

    # Processes file to plot (top layer)
    filename_txt_plot = sys.argv[1]
    elementalList_plot = extract_needed_elemental_data(filename_txt_plot)
    ratiosList_plot = process_elemental_data(elementalList_plot)

    # Processes file to map (bottom image)
    filename_txt_map = sys.argv[2]
    elementalList_map = extract_needed_elemental_data(filename_txt_map)
    ratiosList_map = process_elemental_data(elementalList_map)


# Another good area to adjust configurations. This is the percent of nodes that
# must be within +/- the adjust range of a point for it to be added to the heatmap.
PERCENT_NEAR = .15

# Turns list into tuple pairs for use in the heatmap function
y = 0
tList = []
for x in ratiosList_map[1]:
Пример #2
0

usage_mesg = "VanKrevelenHeatmap.py <csv file(s)>"

# Checks if files are available.
filename_csv = sys.argv[1]
if not os.access(filename_csv, os.R_OK):
    print "%s is not accessible." % filename_csv
    print usage_mesg
    sys.exit(1)


if len(sys.argv) == 2:
    filename_csv = sys.argv[1]
    elementalList = extract_needed_elemental_data(filename_csv)
    ratiosList = process_elemental_data(elementalList)

# Another good area to adjust configurations. This is the percent of nodes that
# must be within +/- the adjust range of a point for it to be added to the heatmap.
PERCENT_NEAR = 0.15

# Turns list into tuple pairs for use in the heatmap function
y = 0
tList = []
for x in ratiosList[1]:
    tHelp = (x, ratiosList[0][y])
    tList.append(tHelp)
    y += 1

filteredtups = []
Пример #3
0
if not os.access(filename_txt, os.R_OK):
    print "%s is not accessible." % filename_txt
    print usage_mesg
    sys.exit(1)

# If two arguments were given
if len(sys.argv) == 2:

    # Assigns filename to the second argument provided in the command prompt
    filename_txt = sys.argv[1]

    # Gets complete list of all element counts in all compounds identified
    elementalList = extract_needed_elemental_data(filename_txt)

    # Gets complete list of ratios (also contains boolean for presence of nitrogen
    ratios_list = process_elemental_data(elementalList)

# Graphs the data provided and labels axes

area = 10.0

fig = plt.figure()
fig.suptitle('Van Krevelen Diagram', fontsize=14, fontweight='bold')
ax = fig.add_subplot(111)
fig.subplots_adjust(top=0.85)
plt.xlim(0, 1.8)
plt.ylim(0, 3.0)

ax.set_xlabel('O:C Ratio')
ax.set_ylabel('H:C Ratio')