Description

The app allows to search compounds through ‘PubChem’ and helps to keep information on solutions made of those compounds.

• The app is written and tested on Swift 4.1 and Xcode 9.3.
• The app is available on App Store.

Installation

1. Clone or download the repository: https://github.com/jaeseung16/SearchPubChem.git
2. Open SearchPubChem.xcodeproj in Xcode
3. Build and run

How to Use

Compounds Tab

Search the open chemistry database ‘PubChem’ at the National Institutes of Health (NIH) for chemical compounds. The app helps to find a compound by name from the collection of more than 90 million compounds. It downloads and stores the molecular formula, weight, and structure.

Compounds

1. Selecting the Compounds tab will present a table of compounds.
   • If there are any solutions made of a compound, 💧 will appear next to the compound’s name.
2. When a compound is selected, a view with the detailed information will appear. Follow the instruction in Details for a compound.
3. When the + button is selected, a view for search will appear. Follow the instruction in Search for a compound.

Details for a compound

1. Click <Compounds to return back to the table of compounds.
2. Click the magnifier icon to open the PubChem page for the compound.
3. Click the trashcan icon to delete the compound. This function may not be available if there is a solution made of the compound.
4. Click one of the solutions made of the compound to display the information. See Details for a solution below.

Search for a compound

1. Type a compound name into the text field, which is filled with ‘water’ by default.
2. Click Search to begin searching the database. An activity indicator will appear until the search is finished.
   • If the search succeeds, the downloaded information will appear.
   • If the search fails, an alert will appear.
3. Click Save to store the information about a compound.
4. Click Cancel anytime to dismiss the scene.

Solutions Tab

Choose compounds downloaded from PubChem and make a solution. The app allows to record a list of compounds with amounts dissolved in a solution. For the saved solutions, the app displays their compositions in gram and mol.

Solutions

1. Selecting the Solutions tab will present a table of solutions.
2. When a solution is selected, a view with the detailed information will appear. Follow the instruction in Details for a solution.
3. When the + button is selected, a view for search will appear. Follow the instruction in Making a solution.

Details for a solution

1. Click <Solutions to return back to the table of compounds.
2. Click the action icon to share a csv file containig the information about the solution.
3. Click the trashcan icon to delete the solution.
4. Choose between actual and % to display the actual or percent amounts of individual compounds.
5. Choose the unit between gram and mol.
   • When gram is selected, actual displays the amounts in the unit of gram or % does in the percentage of weights.
   • When mol is selected, actual displays the amounts in the unit of mol or % does in the percentage of the number of molecules.
6. Select one of compounds to display its structure and formula. See Mini details for a compound below.

Making a solution

1. Enter a label for a new soltion.
2. Click Add Compounds to bring a collection of compounds. See Compounds collection below.
3. The names of the compounds selected from Compounds collection will be displayed in the table view.
4. The unit for the amount can be chosen among gram, mg, mol, and mM.
5. The amount may be entered.
6. Click Save to create and add a new solution.
7. Click Cancel anytime to dismiss the scene.

Compounds collection

1. Select or deselect compounds by clicking the images of compounds.
2. Selected compounds will be displayed.
3. Click + to bring a view for searching a compound. See Search for a compound.
4. Click Done to return back to Making a solution.
5. Click Cancel anytime to dismiss the scene.

Mini details for a compound

1. Click Done to return back to Details for a solution.

Version History

ver 2.1

1. Fix the ‘magnifier’ icon for opening the PubChem page for the compound
2. Enhance JSON parsing using Codable types
3. Update the interface for iPad

ver 2.0 (11/9/2019)

1. Supporting 3D conformers
   • If a 3D conformer is available from PubChem, it will be downloaded. Check whether “Conformer” appears at the bottom of the image downloaded after a search is finished. Also, check whether “3D” appears at the upper right corner of the image of a molecule. The conformer scene supports the pan and pinch gestures!
2. Supporting the dark mode

ver 1.0 (Apr 11, 2018)