603 use parameters from csv files create database on start (#604)

* added tables * chaged format * some test neqsimdb * added sql * update database * update tabel * modified tables * update from master (#606) * Update release_with_jars.yml (#605) * Update release_with_jars.yml * Update release_with_jars.yml --------- Co-authored-by: Åsmund Våge Fannemel <34712686+asmfstatoil@users.noreply.github.com> * updates * updated tests * fixed tests * added more tables * add more tables * update * deleted * update * fixed tables * updates * updates * updates removed derby * fixed reaction data table * update java 8 pom --------- Co-authored-by: Åsmund Våge Fannemel <34712686+asmfstatoil@users.noreply.github.com>
equinor · May 22, 2023 · 0b05ef1 · 0b05ef1
1 parent f4c7d3d
commit 0b05ef1
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Showing 262 changed files with 3,017 additions and 156 deletions.
diff --git a/pom.xml b/pom.xml
@@ -23,6 +23,12 @@
 	</repositories>
 
 	<dependencies>
+        <!-- https://mvnrepository.com/artifact/com.h2database/h2 -->
+      <dependency>
+          <groupId>com.h2database</groupId>
+          <artifactId>h2</artifactId>
+          <version>2.1.214</version>
+    </dependency>
 		<dependency>
 			<groupId>org.apache.logging.log4j</groupId>
 			<artifactId>log4j-api</artifactId>
@@ -55,16 +61,6 @@
 			<artifactId>commons-math3</artifactId>
 			<version>3.6.1</version>
 		</dependency>
-		<dependency>
-			<groupId>org.apache.derby</groupId>
-			<artifactId>derby</artifactId>
-			<version>10.15.2.0</version>
-		</dependency>
-		<dependency>
- 			<groupId>org.apache.derby</groupId>
-			<artifactId>derbytools</artifactId>
-			<version>10.15.2.0</version>
-		</dependency>
 		<dependency>
 			<groupId>org.ejml</groupId>
 			<artifactId>ejml-all</artifactId>

diff --git a/pomJava8.xml b/pomJava8.xml
@@ -55,16 +55,12 @@
 			<artifactId>commons-math3</artifactId>
 			<version>3.6.1</version>
 		</dependency>
-    <dependency>
-        <groupId>org.apache.derby</groupId>
-        <artifactId>derby</artifactId>
-        <version>10.14.2.0</version>
+        <!-- https://mvnrepository.com/artifact/com.h2database/h2 -->
+      <dependency>
+          <groupId>com.h2database</groupId>
+          <artifactId>h2</artifactId>
+          <version>2.1.214</version>
     </dependency>
-		<dependency>
- 			<groupId>org.apache.derby</groupId>
-			<artifactId>derbytools</artifactId>
-			<version>10.15.2.0</version>
-		</dependency>
 		<dependency>
 			<groupId>org.ejml</groupId>
 			<artifactId>ejml-all</artifactId>

diff --git a/src/main/java/neqsim/chemicalReactions/chemicalReaction/ChemicalReactionList.java b/src/main/java/neqsim/chemicalReactions/chemicalReaction/ChemicalReactionList.java
@@ -89,10 +89,10 @@ public void readReactions(SystemInterface system) {
           r = Double.parseDouble(dataSet.getString("r"));
           actH = Double.parseDouble(dataSet.getString("ACTENERGY"));
 
+          neqsim.util.database.NeqSimDataBase database2 = null;
           java.sql.ResultSet dataSet2 = null;
           try {
-            neqsim.util.database.NeqSimDataBase database2 =
-                new neqsim.util.database.NeqSimDataBase();
+            database2 = new neqsim.util.database.NeqSimDataBase();
             dataSet2 = database2
                 .getResultSet("SELECT * FROM stoccoefdata where REACNAME='" + reacname + "'");
             dataSet2.next();
@@ -107,6 +107,7 @@ public void readReactions(SystemInterface system) {
           } finally {
             try {
               dataSet2.close();
+              database2.getConnection().close();
             } catch (Exception ex) {
               logger.error(ex.getMessage());
             }

diff --git a/...nParameterFitting/HuronVidalParameterFitting/TestBinaryUMRPRUFittingToSolubilityData.java b/...nParameterFitting/HuronVidalParameterFitting/TestBinaryUMRPRUFittingToSolubilityData.java
@@ -35,7 +35,7 @@ public static void main(String[] args) {
 
     NeqSimDataBase database = new NeqSimDataBase();
     ResultSet dataSet = database.getResultSet(
-        "SELECT * FROM binarySolubilityData WHERE ComponentSolute='Hg' AND ComponentSolvent='n-decane'");
+        "SELECT * FROM binarySolubilityData WHERE ComponentSolute='Hg' AND ComponentSolvent='nC10'");
 
     double parameterGuess[] = {188.385052774267, -0.84022345}; // , 2630.871733876947};
 

diff --git a/src/main/java/neqsim/util/database/NeqSimDataBase.java b/src/main/java/neqsim/util/database/NeqSimDataBase.java
@@ -11,6 +11,7 @@
 import org.apache.logging.log4j.LogManager;
 import org.apache.logging.log4j.Logger;
 
+
 /**
  * <p>
  * NeqSimDataBase class.
@@ -48,11 +49,14 @@ public static void setCreateTemporaryTables(boolean createTemporaryTables) {
   static Logger logger = LogManager.getLogger(NeqSimDataBase.class);
   private static boolean createTemporaryTables = false;
 
-  private static String dataBaseType = "Derby";
-  private static String connectionString = "jdbc:derby:classpath:data/neqsimthermodatabase";
+  // private static String dataBaseType = "Derby";
+  // private static String connectionString = "jdbc:derby:classpath:data/neqsimthermodatabase";
   private static String username = "remote";
   private static String password = "remote";
 
+  private static String dataBaseType = "H2fromCSV";
+  private static String connectionString = "jdbc:h2:mem:neqsimthermodatabase";
+  private static boolean h2IsInit = false;
   // static String dataBaseType = "MSAccessUCanAccess";
   // public static String connectionString =
   // "jdbc:ucanaccess://C:/Users/esol/OneDrive -
@@ -67,6 +71,10 @@ public static void setCreateTemporaryTables(boolean createTemporaryTables) {
    * </p>
    */
   public NeqSimDataBase() {
+    if (dataBaseType == "H2fromCSV" && !h2IsInit) {
+      h2IsInit = true;
+      initH2DatabaseFromCSVfiles();
+    }
     setDataBaseType(dataBaseType);
 
     try {
@@ -107,7 +115,8 @@ public Connection openConnection() throws SQLException, ClassNotFoundException {
         }
         return DriverManager.getConnection("jdbc:odbc:DRIVER={Microsoft Access Driver (*.mdb)};DBQ="
             + dir + "\\data\\NeqSimDatabase");
-      } else if (dataBaseType.equals("H2") || dataBaseType.equals("H2RT")) {
+      } else if (dataBaseType.equals("H2fromCSV") || dataBaseType.equals("H2")
+          || dataBaseType.equals("H2RT")) {
         return DriverManager.getConnection(connectionString, "sa", "");
       } else if (dataBaseType.equals("MSAccessUCanAccess")) {
         return DriverManager.getConnection(getConnectionString());
@@ -185,6 +194,27 @@ public void execute(String sqlString) {
     }
   }
 
+  /**
+   * <p>
+   * execute.
+   * </p>
+   *
+   * @param sqlString a {@link java.lang.String} object
+   */
+  public void executeQuery(String sqlString) {
+    try {
+      if (databaseConnection == null) {
+        databaseConnection = this.openConnection();
+        setStatement(databaseConnection.createStatement());
+      }
+      getStatement().executeQuery(sqlString);
+    } catch (Exception ex) {
+      logger.error("error in NeqSimDataBase " + ex.toString(), ex);
+      logger.error("The database must be rgistered on the local DBMS to work.");
+      throw new RuntimeException(ex);
+    }
+  }
+
   /**
    * <p>
    * Getter for the field <code>dataBaseType</code>.
@@ -225,10 +255,9 @@ public static void setDataBaseType(String aDataBaseType, String connectionString
     try {
       if (dataBaseType.equals("MSAccess")) {
         Class.forName("sun.jdbc.odbc.JdbcOdbcDriver").getDeclaredConstructor().newInstance();
-      } else if (dataBaseType.equals("H2")) {
-        Class.forName("org.h2.Driver");
-      } else if (dataBaseType.equals("H2RT")) {
-        Class.forName("org.h2.Driver");
+      } else if (dataBaseType.equals("H2fromCSV") || dataBaseType.equals("H2")
+          || dataBaseType.equals("H2RT")) {
+        // Class.forName("org.h2.Driver");
       } else if (dataBaseType.equals("MSAccessUCanAccess")) {
         Class.forName("net.ucanaccess.jdbc.UcanaccessDriver");
       } else if (dataBaseType.equals("mySQL")) {
@@ -325,15 +354,21 @@ public static void setConnectionString(String aConnectionString) {
    * @param args an array of {@link java.lang.String} objects
    */
   public static void main(String[] args) {
+    // NeqSimDataBase.initH2DatabaseFromCSVfiles();
+    // NeqSimDataBase.initDatabaseFromCSVfiles();
     NeqSimDataBase database = new NeqSimDataBase();
 
     try (ResultSet dataSet = database.getResultSet("SELECT * FROM comp WHERE NAME='methane'")) {
       dataSet.next();
+      System.out.println("dataset " + dataSet.getString("molarmass"));
       logger.info("dataset " + dataSet.getString("molarmass"));
+      dataSet.close();
+      database.getConnection().close();
     } catch (Exception ex) {
       logger.error("failed " + ex.toString());
       throw new RuntimeException(ex);
     }
+
   }
 
   /**
@@ -394,4 +429,96 @@ public static boolean hasComponent(String compName) {
       }
     }
   }
+
+  public static void initH2DatabaseFromCSVfiles() {
+    neqsim.util.database.NeqSimDataBase.connectionString =
+        "jdbc:h2:mem:neqsimthermodatabase;DB_CLOSE_DELAY=-1";
+    neqsim.util.database.NeqSimDataBase.createTemporaryTables = false;
+    neqsim.util.database.NeqSimDataBase.dataBaseType = "H2";
+    neqsim.util.database.NeqSimDataBase database = new neqsim.util.database.NeqSimDataBase();
+
+    // Connection con = database.getConnection();
+    // Statement stmn = con.createStatement();
+    // stmn.execute(defaultDatabaseRootRoot)
+
+    String createCOMP = "CREATE TABLE comp AS SELECT * FROM CSVREAD('classpath:/data/COMP.csv')";
+    String createINTER = "CREATE TABLE inter AS SELECT * FROM CSVREAD('classpath:/data/INTER.csv')";
+    String createElement =
+        "CREATE TABLE element AS SELECT * FROM CSVREAD('classpath:/data/element.csv')";
+    String create_iso6976 =
+        "CREATE TABLE iso6976constants AS SELECT * FROM CSVREAD('classpath:/data/ISO6976constants.csv')";
+    String create_iso6976_2016 =
+        "CREATE TABLE iso6976constants2016 AS SELECT * FROM CSVREAD('classpath:/data/ISO6976constants2016.csv')";
+    String create_STOCCOEFDATA =
+        "CREATE TABLE STOCCOEFDATA AS SELECT * FROM CSVREAD('classpath:/data/STOCCOEFDATA.csv')";
+    String create_REACTIONDATA =
+        "CREATE TABLE REACTIONDATA AS SELECT * FROM CSVREAD('classpath:/data/REACTIONDATA.csv')";
+    String ReactionKSPdata =
+        "CREATE TABLE ReactionKSPdata AS SELECT * FROM CSVREAD('classpath:/data/ReactionKSPdata.csv')";
+    String create_AdsorptionParameters =
+        "CREATE TABLE AdsorptionParameters AS SELECT * FROM CSVREAD('classpath:/data/AdsorptionParameters.csv')";
+    String create_UNIFACcomp =
+        "CREATE TABLE UNIFACcomp AS SELECT * FROM CSVREAD('classpath:/data/UNIFACcomp.csv')";
+    String create_UNIFACcompUMRPRU =
+        "CREATE TABLE UNIFACcompUMRPRU AS SELECT * FROM CSVREAD('classpath:/data/UNIFACcompUMRPRU.csv')";
+    String UNIFACGroupParam =
+        "CREATE TABLE UNIFACGroupParam AS SELECT * FROM CSVREAD('classpath:/data/UNIFACGroupParam.csv')";
+    String UNIFACInterParam =
+        "CREATE TABLE UNIFACInterParam AS SELECT * FROM CSVREAD('classpath:/data/UNIFACInterParam.csv')";
+    String UNIFACInterParamA_UMR =
+        "CREATE TABLE UNIFACInterParamA_UMR AS SELECT * FROM CSVREAD('classpath:/data/UNIFACInterParamA_UMR.csv')";
+    String UNIFACInterParamA_UMRMC =
+        "CREATE TABLE UNIFACInterParamA_UMRMC AS SELECT * FROM CSVREAD('classpath:/data/UNIFACInterParamA_UMRMC.csv')";
+    String UNIFACInterParamB =
+        "CREATE TABLE UNIFACInterParamB AS SELECT * FROM CSVREAD('classpath:/data/UNIFACInterParamB.csv')";
+    String UNIFACInterParamB_UMR =
+        "CREATE TABLE UNIFACInterParamB_UMR AS SELECT * FROM CSVREAD('classpath:/data/UNIFACInterParamB_UMR.csv')";
+    String UNIFACInterParamB_UMRMC =
+        "CREATE TABLE UNIFACInterParamB_UMRMC AS SELECT * FROM CSVREAD('classpath:/data/UNIFACInterParamB_UMRMC.csv')";
+    String UNIFACInterParamC =
+        "CREATE TABLE UNIFACInterParamC AS SELECT * FROM CSVREAD('classpath:/data/UNIFACInterParamC.csv')";
+    String UNIFACInterParamC_UMR =
+        "CREATE TABLE UNIFACInterParamC_UMR AS SELECT * FROM CSVREAD('classpath:/data/UNIFACInterParamC_UMR.csv')";
+    String UNIFACInterParamC_UMRMC =
+        "CREATE TABLE UNIFACInterParamC_UMRMC AS SELECT * FROM CSVREAD('classpath:/data/UNIFACInterParamC_UMRMC.csv')";
+
+    try {
+      database.execute(createCOMP);
+      database.execute(createINTER);
+      database.execute(createElement);
+      database.execute(create_iso6976);
+      database.execute(create_iso6976_2016);
+      database.execute(create_STOCCOEFDATA);
+      database.execute(create_REACTIONDATA);
+      database.execute(ReactionKSPdata);
+      database.execute(create_AdsorptionParameters);
+      database.execute(create_UNIFACcomp);
+      database.execute(create_UNIFACcompUMRPRU);
+      database.execute(UNIFACGroupParam);
+      database.execute(UNIFACInterParam);
+      database.execute(UNIFACInterParamA_UMR);
+      database.execute(UNIFACInterParamA_UMRMC);
+      database.execute(UNIFACInterParamB);
+      database.execute(UNIFACInterParamB_UMR);
+      database.execute(UNIFACInterParamB_UMRMC);
+      database.execute(UNIFACInterParamC);
+      database.execute(UNIFACInterParamC_UMR);
+      database.execute(UNIFACInterParamC_UMRMC);
+      database.execute("CREATE TABLE comptemp AS SELECT * FROM comp");
+      database.execute("CREATE TABLE intertemp AS SELECT * FROM inter");
+    } catch (Exception e) {
+      e.printStackTrace();
+    } finally {
+      try {
+        if (database.getStatement() != null) {
+          database.getStatement().close();
+        }
+        if (database.getConnection() != null) {
+          database.getConnection().close();
+        }
+      } catch (Exception ex) {
+        logger.error("error closing database.....", ex);
+      }
+    }
+  }
 }
diff --git a/src/main/resources/data/AdsorptionParameters.csv b/src/main/resources/data/AdsorptionParameters.csv
@@ -0,0 +1,9 @@
+"ID","Name","Solid","eps","z0","beta"
+1,"methane","AC Calgon F400",7.458000000,0.298000000,2.000000000
+2,"CO2","AC Calgon F400",7.760000000,0.298000000,2.000000000
+3,"nitrogen","AC Calgon F400",6.010000000,0.298000000,2.000000000
+4,"methane","AC Norit R1",8.060000000,0.362000000,2.000000000
+6,"argon","AC Norit R1",5.800000000,0.362000000,2.000000000
+7,"methane","AC",7.180000000,0.367000000,2.000000000
+8,"CO2","AC",7.510000000,0.367000000,2.000000000
+9,"nitrogen","AC Norit R1",0.050000000,0.362000000,2.000000000