From 51df1dbd1d75f2a699a045590300041784e8789e Mon Sep 17 00:00:00 2001 From: TK Date: Mon, 14 Oct 2024 09:14:11 -0300 Subject: [PATCH] * --- college/graph/atoms.py | 29 +++++++++++++++++++++++++++++ 1 file changed, 29 insertions(+) create mode 100644 college/graph/atoms.py diff --git a/college/graph/atoms.py b/college/graph/atoms.py new file mode 100644 index 0000000..680b4f5 --- /dev/null +++ b/college/graph/atoms.py @@ -0,0 +1,29 @@ +import networkx as nx +import matplotlib.pyplot as plt + +def plot_graph(graph, pos, title): + plt.figure(figsize=(6, 6)) + nx.draw(graph, pos, with_labels=True, node_color='lightblue', node_size=2000, font_size=12, font_weight='bold', edge_color='gray') + plt.title(title) + plt.show() + + +# H₂O +# Adiciona vértices e conectas os átomos com arestas +# Define as posições de cada átomo +# Plota o grafo de água +water = nx.Graph() +water.add_nodes_from(['O', 'H1', 'H2']) +water.add_edges_from([('O', 'H1'), ('O', 'H2')]) +water_pos = {'O': (0, 0), 'H1': (-1, -1), 'H2': (1, -1)} +plot_graph(water, water_pos, '(H2O)') + +# CO₂ +# Adiciona vértices e conectas os átomos com arestas +# Define as posições de cada átomo +# Plota o grafo de CO₂ +co2 = nx.Graph() +co2.add_nodes_from(['C', 'O1', 'O2']) +co2.add_edges_from([('C', 'O1'), ('C', 'O2')]) +co2_pos = {'C': (0, 0), 'O1': (-1, 0), 'O2': (1, 0)} +plot_graph(co2, co2_pos, '(CO2)') \ No newline at end of file