main
HuangHai 3 weeks ago
parent e5a4bcb3b4
commit d2d48dd952

@ -0,0 +1,47 @@
from py2neo import Graph, Node, Relationship
# 1. 连接Neo4j数据库
graph = Graph("bolt://localhost:7687", auth=("neo4j", "DsideaL147258369"))
# 2. 创建化学物质节点 (三种反应物+一种生成物)
reactant_A = Node("Chemical", name="", formula="Fe")
reactant_B = Node("Chemical", name="氧气", formula="O2")
reactant_C = Node("Chemical", name="", formula="H2O")
product = Node("Chemical", name="氧化铁", formula="Fe2O3")
# 3. 创建反应节点并添加属性
reaction = Node("Reaction",
name="铁锈蚀反应",
equation="4Fe + 3O2 + 6H2O → 4Fe(OH)3",
condition="常温常压"
)
# 4. 建立反应物与反应的关系(带计量系数属性)
rel_A = Relationship(reactant_A, "PARTICIPATES_IN", reaction, coefficient=4)
rel_B = Relationship(reactant_B, "PARTICIPATES_IN", reaction, coefficient=3)
rel_C = Relationship(reactant_C, "PARTICIPATES_IN", reaction, coefficient=6)
# 5. 建立反应与生成物的关系
rel_product = Relationship(reaction, "PRODUCES", product, yield_rate="98%")
# 6. 将节点和关系提交到数据库
graph.create(reactant_A)
graph.create(reactant_B)
graph.create(reactant_C)
graph.create(product)
graph.create(reaction)
graph.create(rel_A)
graph.create(rel_B)
graph.create(rel_C)
graph.create(rel_product)
# 7. 查询示例:查找所有参与铁锈蚀反应的物质
query = """
MATCH (c:Chemical)-[r:PARTICIPATES_IN]->(re:Reaction {name:'铁锈蚀反应'})
RETURN c.name AS chemical, r.coefficient AS coefficient, re.equation AS equation
"""
result = graph.run(query)
for record in result:
print(f"化学物质: {record['chemical']}, 计量系数: {record['coefficient']}")
print(f"反应方程式: {record['equation']}")
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