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jna-inchi-ixa and jna-inchi-wasm #33

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63f6242
Additions of enum getCodeObj(Object)
BobHanson Mar 12, 2025
233a1e3
jna-inchi-ixa module
BobHanson Mar 12, 2025
b795fd1
jna-inchi-wasm module
BobHanson Mar 12, 2025
a25724b
implements GetINCHIKeyFromINCHI and IXA_MOL_ReadMolfile
BobHanson Mar 12, 2025
e182df2
InchiAPI j2snative update for revised Clazz._loadWasm loaded signal
BobHanson Mar 15, 2025
8f75079
Merge pull request #4 from dan2097/master
BobHanson Mar 15, 2025
cbbd5dc
Locale.root for toLowerCase();
BobHanson Mar 18, 2025
976cb10
just adds preferred name molFileToInchi
BobHanson Mar 18, 2025
c4d7228
InchiAPI adds more generalized support for toolkits
BobHanson Mar 22, 2025
7d296ee
switch ordering only
BobHanson Mar 22, 2025
eb518c1
InchiAPI fix and update
BobHanson Apr 2, 2025
1f62a10
just trying to make it compile; not actually used.
BobHanson May 5, 2025
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16 changes: 14 additions & 2 deletions jna-inchi-api/src/main/java/io/github/dan2097/jnainchi/InchiBondStereo.java
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Original file line number Diff line number Diff line change
Expand Up @@ -18,6 +18,7 @@
package io.github.dan2097.jnainchi;

import java.util.HashMap;
import java.util.Locale;
import java.util.Map;

import io.github.dan2097.jnainchi.inchi.InchiLibrary.tagINCHIBondStereo2D;
Expand Down Expand Up @@ -58,13 +59,24 @@ byte getCode() {
return code;
}

private static final Map<Byte, InchiBondStereo> map = new HashMap<>();
private static final Map<Object, InchiBondStereo> map = new HashMap<>();

static {
for (InchiBondStereo val : InchiBondStereo.values()) {
map.put(val.code, val);
map.put(Byte.valueOf(val.code), val);
map.put(val.name().toLowerCase(Locale.ROOT), val);
}
}

public static int getCodeObj(Object val) {
if (val != null) {
InchiBondStereo e = (val instanceof InchiBondStereo ? (InchiBondStereo) val
: map.get(val.toString().toLowerCase(Locale.ROOT)));
if (e != null)
return e.getCode();
}
return NONE.getCode();
}

static InchiBondStereo of(byte code) {
return map.get(code);
Expand Down
18 changes: 15 additions & 3 deletions jna-inchi-api/src/main/java/io/github/dan2097/jnainchi/InchiBondType.java
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Original file line number Diff line number Diff line change
Expand Up @@ -18,6 +18,7 @@
package io.github.dan2097.jnainchi;

import java.util.HashMap;
import java.util.Locale;
import java.util.Map;

import io.github.dan2097.jnainchi.inchi.InchiLibrary.tagINCHIBondType;
Expand Down Expand Up @@ -45,14 +46,25 @@ byte getCode() {
return code;
}

private static final Map<Byte, InchiBondType> map = new HashMap<>();
private static final Map<Object, InchiBondType> map = new HashMap<>();

static {
for (InchiBondType val : InchiBondType.values()) {
map.put(val.code, val);
map.put(Byte.valueOf(val.code), val);
map.put(val.name().toLowerCase(Locale.ROOT), val);
}
}


public static int getCodeObj(Object val) {
if (val != null) {
InchiBondType e = (val instanceof InchiBondType ? (InchiBondType) val
: map.get(val.toString().toLowerCase(Locale.ROOT)));
if (e != null)
return e.getCode();
}
return SINGLE.getCode();
}

public static InchiBondType of(byte code) {
return map.get(code);
}
Expand Down
16 changes: 14 additions & 2 deletions jna-inchi-api/src/main/java/io/github/dan2097/jnainchi/InchiRadical.java
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Original file line number Diff line number Diff line change
Expand Up @@ -18,6 +18,7 @@
package io.github.dan2097.jnainchi;

import java.util.HashMap;
import java.util.Locale;
import java.util.Map;

import io.github.dan2097.jnainchi.inchi.InchiLibrary.tagINCHIRadical;
Expand All @@ -42,13 +43,24 @@ byte getCode() {
return code;
}

private static final Map<Byte, InchiRadical> map = new HashMap<>();
private static final Map<Object, InchiRadical> map = new HashMap<>();

static {
for (InchiRadical val : InchiRadical.values()) {
map.put(val.code, val);
map.put(Byte.valueOf(val.code), val);
map.put(val.name().toLowerCase(Locale.ROOT), val);
}
}

public static int getCodeObj(Object val) {
if (val != null) {
InchiRadical e = (val instanceof InchiRadical ? (InchiRadical) val
: map.get(val.toString().toLowerCase(Locale.ROOT)));
if (e != null)
return e.getCode();
}
return NONE.getCode();
}

static InchiRadical of(byte code) {
return map.get(code);
Expand Down
16 changes: 14 additions & 2 deletions jna-inchi-api/src/main/java/io/github/dan2097/jnainchi/InchiStereoParity.java
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Original file line number Diff line number Diff line change
Expand Up @@ -18,6 +18,7 @@
package io.github.dan2097.jnainchi;

import java.util.HashMap;
import java.util.Locale;
import java.util.Map;

import io.github.dan2097.jnainchi.inchi.InchiLibrary.tagINCHIStereoParity0D;
Expand All @@ -44,14 +45,25 @@ byte getCode() {
return code;
}

private static final Map<Byte, InchiStereoParity> map = new HashMap<>();
private static final Map<Object, InchiStereoParity> map = new HashMap<>();

static {
for (InchiStereoParity val : InchiStereoParity.values()) {
map.put(val.code, val);
map.put(Byte.valueOf(val.code), val);
map.put(val.name().toLowerCase(Locale.ROOT), val);
}
}

public static int getCodeObj(Object val) {
if (val != null) {
InchiStereoParity e = (val instanceof InchiStereoParity ? (InchiStereoParity) val
: map.get(val.toString().toLowerCase(Locale.ROOT)));
if (e != null)
return e.getCode();
}
return NONE.getCode();
}

static InchiStereoParity of(byte code) {
return map.get(code);
}
Expand Down
16 changes: 14 additions & 2 deletions jna-inchi-api/src/main/java/io/github/dan2097/jnainchi/InchiStereoType.java
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Original file line number Diff line number Diff line change
Expand Up @@ -18,6 +18,7 @@
package io.github.dan2097.jnainchi;

import java.util.HashMap;
import java.util.Locale;
import java.util.Map;

import io.github.dan2097.jnainchi.inchi.InchiLibrary.tagINCHIStereoType0D;
Expand All @@ -42,14 +43,25 @@ byte getCode() {
return code;
}

private static final Map<Byte, InchiStereoType> map = new HashMap<>();
private static final Map<Object, InchiStereoType> map = new HashMap<>();

static {
for (InchiStereoType val : InchiStereoType.values()) {
map.put(val.code, val);
map.put(Byte.valueOf(val.code), val);
map.put(val.name().toLowerCase(Locale.ROOT), val);
}
}

public static int getCodeObj(Object val) {
if (val != null) {
InchiStereoType e = (val instanceof InchiStereoType ? (InchiStereoType) val
: map.get(val.toString().toLowerCase(Locale.ROOT)));
if (e != null)
return e.getCode();
}
return None.getCode();
}

static InchiStereoType of(byte code) {
return map.get(code);
}
Expand Down
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