ChemStore

ChemStore is a chemical stock and inventory database, designed as a Java EE (REST) Web service. To access use localhost:8080/api/v1 or from a browser http://localhost:8080/api/v1. Note that the port number can be changed (see Payara Application Server)

JPA entities for chemicals and apparatus

The Entity relationship diagram is as follows:

All JPA entities are extensions of AbstractEntity. The key entities stored permanently are:

• Supplier
  • Company name
  • Contact email
  • Contact phone number
• Reagent
  • CAS ID
  • Name
• Apparatus
  • Name
  • Capacity

The stock items are then related to the supplier via one-to-one relational mappings:

• StockChemical
  • Reagent (one-to-one)
  • Supplier (one-to-one)
  • Unit (enum)
  • Expiry Date
  • Density
  • Concentration
• StockApparatus
  • Apparatus (one-to-one)
  • Supplier (one-to-one)

With the above records put in place, the end-user will eventually be expected to keep a record of current stock:

• Chemical stock
  • StockChemical (one-to-one)
  • Quantity
• Apparatus stock
  • StockApparatus (one-to-one)
  • Quantity

The (purchase) Order is composed of Lists of ApparatusOrdered and ChemicalOrdered:

• ApparatusOrdered

  • Order (many-to-many)
  • StockApparatus (one-to-one)
  • Quantity ordered
  • Price
  • Currency (enum)

• ChemicalOrdered

  • Order (many-to-many)
  • StockChemical (one-to-one)
  • Quantity ordered
  • Price
  • Currency (enum)

Hence, ApparatusOrdered and ChemicalOrdered are individual rows of Order:

• Order
  • Order date and time
  • (List of) ApparatusOrdered (many-to-many)
  • (List of) ChemicalOrdered (many-to-many)

The mappings are many-to-many since it is likely that the same quantity of apparatus and/or reagents will be requested again.

Payara Application Server

ChemStore is designed to run over the Payara Application Server. To build a fat JAR file with the Payara server embedded, execute mvn clean package from the project parent directory. To run the app, enter java -jar ChemStore-1.0-SNAPSHOT-microbundle --port 5000, noting that the port parameter is optional.

EclipseLink

ChemStore uses the EclipseLink ORM with the H2 in-memory database. The database is initially void of entities.

To post new reagents (for example), send POST request to "localhost:8080/api/v1/reagents" with a (raw) JSON in the request body:

{
    "CAS_id" : "Some CAS ID",
    "chemicalName" : "Alcohol"
}

Future capabilities of ChemStore

Teacher submitted lab requirements

The teacher can submit a request sheet for a class, for classes taking the same experiment, saving the instructions for future use:

• Teacher chemical request facility
  • Date of request
  • Date/week of experiment(s)
  • Number of students
  • Number of surplus quantities
  • Chemicals required
    • Chemical name
    • Quantity per student
  • Apparatus required
    • Apparatus name
    • Capacity

Reagent quantities calculator

The school/college technician can also make use of a reagent quantities calculator:

• School technician reagent quantities and dilutions calculator
  • Molar/formula mass
  • Stock concentration
  • Volume per student
  • Number of students + surplus
  • OUTPUT: volume/mass required