You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
54 lines
1.8 KiB
54 lines
1.8 KiB
from py2neo import Graph, Node, Relationship
|
|
|
|
from Config import Config
|
|
|
|
# 1. 连接Neo4j数据库
|
|
graph = Graph(Config.NEO4J_URI, auth=Config.NEO4J_AUTH)
|
|
|
|
# 清空数据库
|
|
graph.delete_all()
|
|
print("数据库已清空")
|
|
|
|
|
|
# 2. 创建化学物质节点 (三种反应物+一种生成物)
|
|
reactant_A = Node("Chemical", name="铁", formula="Fe")
|
|
reactant_B = Node("Chemical", name="氧气", formula="O2")
|
|
reactant_C = Node("Chemical", name="水", 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, "参与反应", reaction, coefficient=4)
|
|
rel_B = Relationship(reactant_B, "参与反应", reaction, coefficient=3)
|
|
rel_C = Relationship(reactant_C, "参与反应", reaction, coefficient=6)
|
|
|
|
# 5. 建立反应与生成物的关系
|
|
rel_product = Relationship(reaction, "生成", 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']}") |