proteindf_tools.pdfgraph module

class proteindf_tools.pdfgraph.BarGraph

ベースクラス: DfGraph

plot(data, labels=None)

class proteindf_tools.pdfgraph.DfDistanceVsElementGraph(log=False)

ベースクラス: DfGraph

load(path)

class proteindf_tools.pdfgraph.DfDosGraph

ベースクラス: DfGraph

add_draw_series(index, label='', fmt='')

load_data(path)

property num_of_series

class proteindf_tools.pdfgraph.DfEnergyLevelHistoryGraphH

ベースクラス: DfGraph

エネルギー準位を水平線で描画します

load_data(path)

select_iterations(iterations)

set_HOMO_level(level)

set_LUMO_level(level)

class proteindf_tools.pdfgraph.DfEnergyLevelHistoryGraphV

ベースクラス: DfEnergyLevelHistoryGraphH

エネルギー準位を垂直線で描画します。

class proteindf_tools.pdfgraph.DfEnergyLevelTraceGraph

ベースクラス: DfGraph

property connection_color

property reference_line_color

set_data(elevel0, elevel1, connections)

set data

パラメータ:

• elevel0 (list) -- energy level for data0

• elevel1 (list) -- energy level for data1

• connections (list of list) -- connection; [index1, index2, ratio]

property target_line_color

class proteindf_tools.pdfgraph.DfGraph(**figure_kwd)

ベースクラス: object

property aspect

property is_draw_grid

property legend

save(path)

property size

property title

property xlabel

property xmax

property xmin

property xscale

property xticklabels

property xticks

property ylabel

property ymax

property ymin

property yscale

property yticklabels

property yticks

class proteindf_tools.pdfgraph.DfGvalsGraph

ベースクラス: DfGraph

set_data(x_occ, y_occ, x_vir, y_vir)

class proteindf_tools.pdfgraph.DfLineChart

ベースクラス: DfGraph

add_data(X, Y)

class proteindf_tools.pdfgraph.DfMatrixGraph(matrix, **figure_kwd)

ベースクラス: DfGraph

property cmap

property is_diverging

property should_write_values

property vmax

property vmin

class proteindf_tools.pdfgraph.DfPopulationGraph

ベースクラス: DfGraph

load_data(path)

class proteindf_tools.pdfgraph.DfTotalEnergyHistGraph

ベースクラス: DfGraph

load_data(path)

class proteindf_tools.pdfgraph.DfVectorGraph(vector, **figure_kwd)

ベースクラス: DfGraph

class proteindf_tools.pdfgraph.EnergyLevelChart

ベースクラス: object

savefig(fname)

set_data(itr, values)

class proteindf_tools.pdfgraph.Graph(size=None)

ベースクラス: object

colors = ['blue', 'green', 'red', 'cyan', 'magenta', 'yellow']

draw_grid(yn)

draw_legend(yn)

file_out(file_path)

plot_basis(type='s', coef=[], exponent=[], color='blue')

print Gaussian

set_xlabel(label)

set_xrange(min_value, max_value)

set_xscale(value)

set_ylabel(label)

set_yrange(min_value, max_value)

set_yscale(value)

class proteindf_tools.pdfgraph.GraphConvergenceCheck(size=None)

ベースクラス: Graph

plot(values, label='', marker='+', linestyle='-')

plot convergence history data

plotLog(values, label='', marker='+', linestyle='-')

plot convergence history data (log)

class proteindf_tools.pdfgraph.GraphEnergyLevelHistory(size=None)

ベースクラス: Graph

plot_energy_levels(iteration, levels, homo_level=-1)

levels is the list of energy level.

class proteindf_tools.pdfgraph.GraphEnergyLevelSingle(size=None)

ベースクラス: Graph

plot_energy_levels(levels, homo_level=-1)

levels is the list of energy level.

class proteindf_tools.pdfgraph.GraphTotalEnergyHistory(size=None)

ベースクラス: Graph

plot(values, label='', marker='+', linestyle='-')

plot total energy history data

class proteindf_tools.pdfgraph.LineChart

ベースクラス: object

savefig(fname)

set_data(x, y)

class proteindf_tools.pdfgraph.MidpointLogNorm(vmin=None, vmax=None, midpoint=None, clip=False)

ベースクラス: LogNorm

class proteindf_tools.pdfgraph.MidpointNormalize(vmin=None, vmax=None, midpoint=None, clip=False)

ベースクラス: Normalize