thread - excepción java lang runtimeexception uncompilable source code incompatible types

Método principal no encontrado en clase/inicio ilegal de expresión

Question

Soy nuevo en todo esto y realmente solo tengo una comprensión básica de la codificación en general.

En realidad estoy tratando de usar un código de Java que se publicó en ChemMedChem (dx.doi.org/10.1002/cmdc.200900317 en la información de respaldo)

Tengo todos los programas apropiados / archivos jar que usan (de ChemAxon)

Puedo copiar el código y compilarlo en un archivo de clase sin problemas:

javac -classpath C:/jarfolder/MarvinBeans-plugin.jar;C:/jarfolder/MarvinBeans.jar; MQN.java

aunque obtengo:

Note: MQN.java uses or overrides a deprecated API.
Note: Recompile with -Xlint:deprecation for details.

Luego, cuando intenta ejecutar el archivo de clase (se supone que el archivo de entrada es una entrada química virtual como un código de sonrisas):

java -classpath C:/jarfolder/MarvinBeans-plugin.jar;C:/jarfolder/MarvinBeans.jar; MQN test.smiles

yo obtengo:

Error: Main method not found in class MQN, please define the main method as:
public static void main(String[] args)

Intenté encerrar el código en

public static void main(String[] args){}

sin embargo, entonces obtengo un error:

>MQN.java:10: error: illegal start of expression
public String calculateMQN(Molecule m) {
^
>MQN.java:10: error: '';'' expected
public String calculateMQN(Molecule m) {
                          ^
>MQN.java:10: error: '';'' expected
public String calculateMQN(Molecule m) {
                                     ^
>MQN.java:255: error: reached end of file while parsing
}
 ^
4 errors

a continuación encontrará el código que utilicé (antes de agregar public void main (String [] args)), cualquier ayuda sería muy apreciada

¡Gracias!

Código de Java:

    import chemaxon.calculations.TopologyAnalyser; 
    import chemaxon.marvin.calculations.HBDAPlugin; 
    import chemaxon.struc.MolAtom; 
    import chemaxon.struc.MolBond; 
    import chemaxon.struc.Molecule;
    public class MQN { 
    TopologyAnalyser ta = new TopologyAnalyser(); 
    HBDAPlugin hbda = new HBDAPlugin(); 
    public String calculateMQN(Molecule m) { 
        if (!m.dearomatize()) { 
            System.out.println("DEAROMATIZE ERROR"); 
        } 
        ta.setMolecule(m); 
        //Classic descriptors 
        try { 
            hbda.setMolecule(m); 
            hbda.run(); 
        } catch (Exception e) { 
            System.err.println("HBDA ERROR"); 
        } 
        int hbd = hbda.getDonorAtomCount(); 
        int hbdm = hbda.getDonorCount(); 
        int hba = hbda.getAcceptorAtomCount();
        int hbam = hbda.getAcceptorCount(); 
        /*Reymond style Rot bond count*/
        int rbc = ta.rotatableBondCount(); 
        for (int i = 0; i < m.getBondCount(); i++) { 
            if (m.getBond(i).getType() == 3) { 
                rbc--; 
            } 
        } 
        if (rbc < 0) { 
            rbc = 0; 
        } 
        //Ring properties / ring sizes count 
        int r3 = 0, r4 = 0, r5 = 0, r6 = 0, r7 = 0, r8 = 0, r9 = 0, rg10 = 0; 
        int[][] sssr = m.getSSSR(); 
        for (int i = 0; i < sssr.length; i++) { 
            switch (sssr[i].length) { 
                case 3: 
                    r3++; 
                    break; 
                case 4: 
                    r4++; 
                    break; 
                case 5: 
                    r5++; 
                    break; 
                case 6: 
                    r6++; 
                    break; 
                case 7: 
                    r7++; 
                    break; 
                case 8: 
                    r8++; 
                    break; 
                case 9: 
                    r9++; 
                    break; 
                default: 
                    rg10++; 
                    break; 
            } 
        } 
        //Atom properties 
        int c = 0, f = 0, cl = 0, br = 0, I = 0, thac = 0, asv = 0, adv = 0, atv = 0, aqv = 0, 
                cdv = 0, ctv = 0, cqv = 0, p = 0, s = 0, posc = 0, negc = 0, 
                afrc = 0, cn = 0, an = 0, co = 0, ao = 0; 
        for (int i = 0; i < m.getAtomCount(); i++) { 
            MolAtom at = m.getAtom(i); 
            boolean isRingAt = ta.isRingAtom(i);
            if (at.getAtno() != 1) { 
                thac++; 
            } 
            //element counts 
            switch (at.getAtno()) { 
                case 1: 
                case 2: 
                case 3: 
                case 4: 
                case 5: 
                    break; 
                case 6: 
                    c++; 
                    break; 
                case 7: 
                    if (isRingAt) { 
                        cn++; 
                    } else { 
                        an++; 
                    } 
                    break; 
                case 8: 
                    if (isRingAt) { 
                        co++; 
                    } else { 
                        ao++; 
                    } 
                    break; 
                case 15: 
                    p++; 
                    break; 
                case 16: 
                    s++; 
                    break; 
                case 9: 
                    f++; 
                    break; 
                case 17: 
                    cl++; 
                    break; 
                case 35: 
                    br++; 
                    break; 
                case 53: 
                    I++; 
                    break; 
            } 
            //valency count 
            switch (at.getBondCount()) {
                case 0: 
                    System.out.println("ATOM WITH NO BONDS"); 
                    break; 
                case 1: 
                    asv++; //single valent can only be acyclic 
                    break; 
                case 2: 
                    if (isRingAt) { 
                        cdv++; 
                    } else { 
                        adv++; 
                    } 
                    break; 
                case 3: 
                    if (isRingAt) { 
                        ctv++; 
                    } else { 
                        atv++; 
                    } 
                    break; 
                case 4: 
                    if (isRingAt) { 
                        cqv++; 
                    } else { 
                        aqv++; 
                    } 
                    break; 
            } 
            if (ta.ringCountOfAtom(i) > 1) { 
                afrc++; 
            } 
        } 
        //Bond properties 
        int csb = 0, cdb = 0, ctb = 0, asb = 0, adb = 0, atb = 0, bfrc = 0; 
        for (int i = 0; i < m.getBondCount(); i++) { 
            MolBond bd = m.getBond(i); 
            if (ta.isRingBond(i)) { 
                switch (bd.getType()) { 
                    case 1: 
                        csb++; 
                        break; 
                    case 2: 
                        cdb++; 
                        break; 
                    case 3: 
                        ctb++; 
                        break; 
                    default: 
                        System.out.println("UNKNOWN CYCLIC BOND TYPE " + bd.getType()); 
                        break; 
                }
            } else { 
                switch (bd.getType()) { 
                    case 1: 
                        asb++; 
                        break; 
                    case 2: 
                        adb++; 
                        break; 
                    case 3: 
                        atb++; 
                        break; 
                    default: 
                        System.out.println("UNKNOWN ACYCLIC BOND TYPE " + bd.getType()); 
                        break; 
                } 
            } 
        } 
        //bond''s fused ring count 
        int[][] sssre = m.getSSSRBonds(); 
        int[] brc = new int[m.getBondCount()]; 
        for (int j = 0; j < sssre.length; j++) { 
            for (int k = 0; k < sssre[j].length; k++) { 
                brc[sssre[j][k]]++; 
            } 
        } 
        for (int j = 0; j < brc.length; j++) { 
            if (brc[j] > 1) { //if bond''s ring count > 1 
                bfrc++; //increase fused ring bonds count 
            } 
        } 
        for (int i = 0; i < m.getAtomCount(); i++) { 
            int crg = m.getAtom(i).getCharge(); 
            if (crg > 0) { 
                posc += crg; 
            } 
            if (crg < 0) { 
                negc += Math.abs(crg); 
            } 
        } 
        return  //CLASSIC PROPERTIES 
                hbd + ";" //hydrogen bond donor atom count 1 
                + hbdm + ";" //HBD with multivalency 2 
                + hba + ";" //hydrogen bond acceptor atom count 3 
                + hbam + ";" //HBA with multivalency 4 
                + rbc + ";" //rotatable bond count 5 
                //RING PROPERTIES 
                + r3 + ";" + r4 + ";" + r5 + ";" + r6 + ";" + r7 + ";" + r8 + ";" + r9 + ";" + rg10 + ";"
    //RingSize Counts 6-13 
                //ATOM PROPERTIES
                + thac + ";"//total heavy atom count (= everything else than H D T) 14 
                + c + ";" //carbon count 15 
                + p + ";"//phosphorus 16 
                + s + ";"//sulfur atom count 17 
                + f + ";" //fluor atom count 18 
                + cl + ";" //chlorine atom count 19
                + br + ";" //bromine atom count 20 
                + I + ";" //iodine atom count 21 
                + cn + ";" //cyclic nitrogen count 22 
                + an + ";" //acyclic nitrogen count 23 
                + co + ";" //cyclic oxygen count 24
                + ao + ";" //acyclic oxygen count 25 
                + asv + ";"//acyclic single valent atom count 26 
                + adv + ";"//acyclic double valent atom count 27 
                + atv + ";"//acyclic triple valent atom count 28 
                + aqv + ";"//acyclic quart valent atom count 29 
                + cdv + ";"//cyclic double valent atom count 30 
                + ctv + ";"//cyclic triple valent atom count 31 
                + cqv + ";"//cyclic quart valent atom count 32 
                + afrc + ";"//atoms-in-fused-ring count 33 
                + posc + ";" // Positive charges 34
                + negc + ";" // Negative charges 35
                //BOND PROPERTIES 
                + csb + ";"//cyclic single bonds 36
                + cdb + ";"//cyclic double bonds 37
                + ctb + ";"//cyclic triple bonds 38
                + asb + ";"//acyclic singe bonds 39
                + adb + ";"//acyclic double bonds 40 
                + atb + ";"//acyclic triple bonds 41 
                + bfrc + ";"//bonds-in-fused-ring count 42 
                + m.toFormat("smiles:q");//END 43 
    } 
}

Answer 1

Agregar principal como este

...............................
...............................

public class MQN {

    TopologyAnalyser ta = new TopologyAnalyser();
    HBDAPlugin hbda = new HBDAPlugin();

    public static void main(String [] args) {
        // This is where the execution of the program will begin

    }

    public String calculateMQN(Molecule m) {
        if (!m.dearomatize()) {
            System.out.println("DEAROMATIZE ERROR");
    .............
    ..............

Publique un comentario aquí si todavía obtiene errores del compilador

Answer 2

Su clase de hecho no contiene el método main que debe seguir esta firma:

public static void main(String[] args) {
}

Este método es un punto de entrada a su programa que debe invocar otros métodos, crear objetos, etc.